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Windows

Aladdin Systems - StuffIt Expander file decompression freeware
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Computer Programs for Data Processing
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Mathematica The Complete Solution
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PGPLOT Installation Windows 95-NT with Digital Visual Fortran
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Statistical Software Libraries
Summary for search result 96 This page offers links to more than 20 Web sites featuring downloadable shareware applications.
U.S. EPA's Benchmark Dose Software Home Page
Web Raper
WinZip® Home Page

WWW

Archive Tools
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gzip - GNU Project - Free Software Foundation (FSF)
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Computers

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Free UNIX for Romania
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Direct Phone

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Colinde
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Live
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Open Directory - World Româna Arta Fotografie
Orthodox Resources on the internet
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Pagina Crestina
Photography in Romania
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Romania Today - Your Information Page
Romanian Home Page Victoria, Australia
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The Romanian Orthodox Episcopate of America
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TOURISTICAL SITES - ROMANIA
Transilvania WEB Factory - Clujul in imagini
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Virtual Romania's Guestbook
Weather Underground Romania
Welcome to GABWORLD Home Page !

Romanian Links

Cool Links
FX FreeWeb
Go2Net
http--about_romania.tripod.com
Imagini - Links
Informations about Romania
Internet Communication - www.hades.ro
Internet Services Provider
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Orientation Romania
ROMANIA geo-political, economical data !... And some romanian WWW servers !
ROMANIAN CONNECTION NETWORK
Romanian Top100
Scoala soferi PILOT
Transilvania WEB Factory - Furnizor de Prezenta pe Internet
Untitled Document
Yahoo! Finance - Currency Conversion
Yahoo! Travel

Servicii internet

Domino Kappa HomePage
Dynamic Network Technologies - Bucuresti
Dynamic Network Technologies
Orientation Romania
PC-NET Data Network

Universities and Institutes

CAIUS IACOB, Founder of the Applied Mathematical Institute
Commission of the Romanian Academy Science and Technology of Microsystems
Educational Software
fizica.aici
Guvernul Romaniei - Home Page
Homepage of Dr. Viorel Chihaia (vchihaia.tripod.com)
Homepage of Dr. Viorel Chihaia - Geocities
Homepage of Dr. Viorel Chihaia
ICCF
Institute of Physical Chemistry
itim.htm
National Institute for R&D Materials Physica
Paul Lungu's Home Page
Picu, Catalin
Politehnica Bucuresti
Romania-Ministerul Educatiei Nationale
Romanian Academy Home Page
Romanian Academy
Stefan cel Mare University of Suceava
The West University Timisoara - Universitatea de Vest Timisoara
Univ. Politehnica - Bucuresti
Universitatea din Bucuresti
Universitati de Stat
Welcome to IMT home page

Science

AtomicScaleModeling

Abinitio Force Fields

Articles and tutorials

An ab Initio Study of Biological Systems
ATMOL DOCUMENTATION SYSTEM
Center for Computational Quantum Chemistry
CRYSTAL - Publications 1981-1998
CRYSTAL - Publications 1981-2000
CSE - People - Dr Klaus Doll - Publications
Density Functional Theory -ccl
Density functional theory in periodic systems using local Gaussian basis sets
DMol - Theory and Implementation
Electronic, cohesive and thermodynamic properties of magnesium and aluminium oxides PhD Thesis of Ruth Franco Álvarez-Uría
First Principles Simulation of Materials Properties
HF Study of Chemical Bonding in Crystalline Titanium Oxides
III Convegno Nazionale di Informatica Chimica
Local basis `` Ab initio Tight Binding
Mike Towler - Publications
On-line Publications produced with CASTEP and CETEP
On-line Reports and Publications
Parallel Methods for First Principles Materials Simulation
Population Analysis in Plane Wave Electronic Structure Calculations
Population Analysis of Plane Wave Pseudopotential Calculations Version 3.0
Publications - R. Jones (AI meth Semiconductors)
The CCP1 Newletter
The FHI98MD Program References
The mechanism of tritium diffusion in lithium oxide
Theoretical and Computational Chemistry at Manchester Univ
Topological analysis of the electron density in simple metals
Topology of the electron density in prototypical crystals Ms Thesis of Paula Mori-Sanchez
Turbomole - Theory

People and Groups

Andersen Department
Andrew Canning
Andy Schofield's TCM Home Page
Atomistic Simulation Group
Computational and Theoretical Chemistry at Manchester University
Computational Materials Science Group
CSE - CCP1 - Working Group
CSE - CCP1
CSE - People - Dr Barry Searle
CSE - People - Dr Klaus Doll
CSE - People - Dr Nic Harrison
CSE - People - p.j.d.lindan
CSE - People
D-A-CH - Hafner - english
Dr. Lars Ojamäe's Home Page
Dr. Philip Lindan
Electronic Structure Exchange
FHI - Theory Department
home page
HUT-Physics, Computational Physics Group
HUT-Physics, Homepage of EPM Group
Matt Segall's Home Page
Miguel Alvarez Blanco HomePage
Mike Towler's CRYSTAL95 resources page
Mike Towler
Personal communication
PICS- PARTNERSHIP IN COMPUTATIONAL SCIENCE
Professor Gabriel Balint-Kurti
Quantum Chemistry Group HomePage
Rajiv Shah's Home Page
The Network Psi-k
The Network
Theoretical Chemistry Group in Torino
VASP Group, Theoretical Physics Department, Vienna
Vic Saunders
Victor Luana HomePage
Ángel Martín Pendás HomePage

Software

Andersen Department Online Manuals
Basis Sets for CRYSTAL - Mike Towler's page
C2íñCASTEP
CASTEP and CETEP Pages
CCP1 Software - GAMESS-UK
CRYSTAL - Electronic Structure of Periodic Systems
CRYSTAL - The Electronic Structure of Periodic Systems
CRYSTAL98 - Auxiliary Basis Sets
CRYSTAL98 Serial Benchmarks
CSE - CRYSTAL
CSE - UKCP
Customization and configuration of XCrySDen
Format for Gaussian wavefunction file gwfn.data
Free Software (castep-cetep UTILITIES)
GAMESS Home Page
Institut fuer Theoretische Chemie, Pseudopotentiale
Materialia -Materialia-Biosym-faststruc.htc
MO Server
MOLPRO quantum chemistry Package
Paratec 4.1 Online Documentation
Quantum Mechanics-based Software
Quantum Mechanics
ROOTHAAN-HARTREE-FOCK GROUND STATE ATOMIC WAVE FUNCTIONS
SAL- Other Scientific Fields - Chemistry, Biology & Related
SCM Home of ADF and BAND (Density Functional codes for chemical research)
THE COLUMBUS HOME PAGE
The JEEP project (DFT-PBE GGA-PseudoPot)
VASP Group, Theoretical Physics Department, Vienna
VASP Program
WIEN95
WIEN97
XCrySDen as a GUI for CRYSTAL95-98

Official Gaussian Web Site

Articles and Tutorials

Atomic and Molecular Clusters - Publications
C2 Lagrangian and Hamiltonian Mechanics 1998
chem647 '96 - Title - Korea
Chemist's Art Gallery
Classical Physics 1 (Mechanics)
Computational Chemistry List Home
Computer Simulation of Liquids programs
Course Overview for Atomic Scale Simulation
ENERGY-MOMENTUM TENSOR
IAN'S INTRODUCTION TO SIMULATED ANNEALING
Introduction in MolecularSimulation (CSE)
Lagrange and Hamilton Equations for Many-Particle Systems
Lagrange Equations
MatSE 390AS Atomic Scale Simulation
MBO(N)D - Theory and Implementation
Mechanics Problems
Mechanics
MUG Package for Evaluating Path Integrals (3.1.97)
NCSA Condensed Matter Physics Home Page
Rigid(1)
Rotation
Rotational Dynamics
THE DL_POLY_2 USER MANUAL
Turbomole - Theory (Lagrange multipliers as constraints )
Tutorials -NIH CCM
Using Fuzzy Logic for Molecular Modeling

DrugDesign QSPR

CMC Modelling Guide
Drug Design
Molecular Database-Library
Molecular Docking Tools from Garrett M. Morris' Home Page

Empirical Force Field

Articles and Tutorials

Database of Published Interatomic Parameters - Periodic Table
Dielectric Constants in Forcefields
force fields
Forcefield-Based Simulations - Forcefields
Forcefield-Based Simulations -
GP Srivastava
Quasi-harmonic Lattice Dynamics
THE DL_POLY_2 USER MANUAL
The Force Matching Method

Software

Classical Electrostatics
FAQ list for Insight II
GULP - General Utility Lattice Program
Molecular Modelling
SAL- Other Scientific Fields - Chemistry, Biology & Related - SOLVATE
SHELL a free energy minimization program
YASP - Yet Another Simulation Package

Force Fields
SERENA SOFTWARE

Groups, Persons

Atomistic Simulation Group (QUB) - Links
Atomistic Simulation Group (QUB)
Center for Molecular Modeling
Computer Modelling & Simulation
Ian Kerr's Homepage
Molecular Modeling Home Page
Per Stoltze -aue.auc.dk
Per Stoltze
Prof. David Clary
Simulation Links
W. L. Jorgensen Group

Molecular Dynamics

Books, Journals and Articles

Atomic and Molecular Clusters - Publications
Carbon Nanotubes in Electro-mechanical Components and Molecular Motors
Computational Molecular Dynamics Challenges, Methods, Ideas Proceedings of the 2nd International Symposium on Algorithms fo
Mark Miller Publications
Theory Department Publications

Events

MOLECULAR DYNAMICS NEWSLETTER

Links

Molecular Dynamics Home Page
molecular-dynamics-news discussion list

People and Research Groups

Advanced Materials Processing Research Group
Andreas Dullweber
Anthony Stone personal information
Anthony Stone's home page
Chris Hecker's Home Page
Classical Molecular Dynamics at Ames Laboratory
David J. Wales
Dimitrios A. Papaconstantopoulos
Dr.K.H. Wong's home page - Computer Vision Research Laboratory
First Principle MD Group
Fluor Daniel Dynamic Simulation
FP molecular dynamics (MD)
Furio's home page
Homepage of Matt Hodges (2000-02-03)
Impulse-based Dynamic Simulation
John Wilkins Home Page
Keith Beardmore's Molecular Dynamics Homepage
Liao, Dongyi - MIT
Molecular Dynamics at Loughborough
Molecular Dynamics group
Molecular Dynamics Home Page
Paulette Clancy
Quaternion Dynamics
Ravi Bhupathiraju
REED Molecular Dynamics
TBMD -AmesLab
TBMD
The DMN Web Site
The Parrinello Group
Tight Binding Simulations at Ames Laboratory

Software

AMBER
Ames Lab Classical Molecular Dynamics Source Code
Anthony Stone Computer programs
CHSSI CCM Tight-Binding Software for High Performance Computers
CLICAL for Clifford Algebra Calculations
CSE - UKCP
fhi98PP pseudopotential program
FHImd program packages
kSan Molecular Dynamics
MDBNCH A molecular dynamics benchmark
MDS A freeware Molecular Dynamics Simulator
MMTK Download Page
MMTK Home Page
Molecular Dynamics (MolDyn)
NTNU HPC Project Software - AMBER
SimChemistry for Windows
Simulated Annealing Demo
Softwares - Kent Cambridge
THE CCP5 PROGRAM LIBRARY
The Dynamo programs
The MDRANGE (MDH) program
VMD - Visual Molecular Dynamics
XMakemol Homepage
XMD - Molecular Dynamics Program
YASP - Yet Another Simulation Package

Tutorials and Articles

Ames Lab Classical Molecular Dynamics Source Code
Baraff Technical Reports and Reprints
Chris Hecker's Rigid Body Dynamics Information
CMC Modelling Guide
Determination of a screw axis for describing protein motions
Impulse-based Dynamic Simulation of Rigid Body Systems
List of Publications
LiveGraphics3D Example Euler Angles
M. Casco MechLab Data Sheet
MBO(N)D - Theory and Implementation
Molecular dynamics - Furio
Molecular Dynamics and Nanotechnology Tutorial Overheads
Molecular dynamics
Order-N Parallel Molecular Dynamics Simulation
Quantum Mechanics The Rigid Rotor
QUANTUM MOLECULAR DYNAMICS
Quaternion and Euler Angle Feedback Control of Underwater Vehicles
Quaternion Dynamics
Quaternion--from Eric Weisstein's World of Mathematics
Rigid Body MD - Symplectic Splitting Methods
Rigid Rotor
Rotation - Tutorial
Rotation--from Eric Weisstein's World of Mathematics
Rotational Dynamics
Rotational Spectra of Rigid Rotor Molecules
SimChemistry for Windows
Simulated Annealing Information, Taygeta Scientific Inc.
The CCP1 Newletter - Ab Initio Classical Trajectories on the Born-Oppenheimer Surface
THE DL_POLY_2 USER MANUAL
The structural chemistry of non-rigid molecules
The TBMD user guide
Visualizing quaternion rotation
Yanhua Zhou Thesis - Title Page
YASP Documentation

Applications on PARAM
Evolutionary Algorithms GA and ES
http--mail.ims.uconn.edu-centers-simul-
Molecular Dynamics Simulation of Liquid Water
Molecular Dynamics
UIUC MatSE390 Atomic Scale Simulation

Monte Carlo

Articles & Tutorials

Kinetic Monte Carlo
MCPRO15 - MC Program

Groups and Persons

Quantum Monte Carlo Home Page - Cavendish Laboratory
quantum Monte Carlo page

Software

Kinetic Monte Carlo -Source code
W. L. Jorgensen Group Chemistry Software List

DAMOCLES Monte Carlo simulation of semiconductor devices
http--www.cooper.edu-engineering-chemechem-monte.html
International Journal on Monte Carlo Methods
INTRODUCTION TO PATH-INTEGRAL METHODS IN PHYSICS AND POLYMER SCIENCE
Mark Newman's homepage
Mark's Monte Carlo page
Molecular Monte Carlo
Monte Carlo Methods and Applications
Monte-Carlo Calculations

Quantum Methods

People and Research Groups

Dr R D Amos
Hedin Department (GW - method)
Laboratoire de Chimie Theoretique - C.N.R.S
Peter E. Blochl

Publications

Recent and forthcoming methodic publications of the group
The CCP1 Newletter

Software

Atomic and Molecular Clusters - Software
CADPAC -- The Cambridge Analytic Derivatives Package

Tutorials

Center for Computational Quantum Chemistry
Introduction in QuantumChemistry (CSE)
McMaster Chemistry Bader's Theory of Atoms in Molecules
QM-MO Notes
WorkPage Linking New Research

BICON-CEDIT
Gaussian Basis Set Order Form
Mike Towler's CRYSTAL95 resources page
Quantum Simulation Methods
The Calzaferri Research Group
tutorials

Semiempirical Force Fields

Groups

Department of Chemistry - St. Petersburg State Univ
Dicle Yesilleten's Home Page
Dr. Gregory A. Landrum
HUT-Physics, Computational Physics Group
HUT-Physics, Homepage of EPM Group
John Wilkins Home Page
Michael J. Mehl
Prof. Arias's Xolas Home Page
Roald Hoffmann - Theoretical Chemistry - Cornell University
TBMD
The Calzaferri Research Group
Wingfield Glassey's Home Page

Methods

A Transferable Tight Binding Potentia by L. Miglio
Applications of a Parameterized Tight-Binding Method on a Parallel Machine
Electromagnetic fields in empirical tight binding theory
Electron Molecular Dynamics - TBMethod
Empirical Tight Binding
Hückel Molecular Orbital Programs
Local basis `` Ab initio Tight Binding
O(N) Tight-Binding Molecular Dynamics on the T3D
TBMD
The TBMD user guide
The YAeHMOP Home Page
Tight-Binding parameters periodic table
TIGHT-BINDING PARAMETRIZATION OF FIRST-PRINCIPLES RESULTS

Publications

Greg Landrum's Ph.D. Thesis
Recent work with Tight-Binding Molecular Dynamics at Ames Lab
TABLES OF PARAMETERS for EH
TBS of Amorphous and Liquid Carbon
Tight-Binding MRS proc Paper
Tight-Binding Study of Tilt Grain Boundaries in Diamond

Software

BICON-CEDIT
CNDO 4.0
DoD Tight-Binding Fitting Code
Downloading the DoD Tight-Binding Fitting Code
Empirical Methods
Moapc93
Molecular modelling, structure drawing, Semi-empirical calculations, structure display, MOPAC, solvation energy, MM2
STATIC A Scalable Tight-Binding Total Energy Evaluation Code
STATIC About Version 1.11
The TBMD user guide
The YAeHMOP Home Page
Tight-Binding Molecular Dynamics
Tight-Binding parameters periodic table
Xolas Project
YAeHMOP Tools for ADF
ZINDO

Semichem Main Page

Static and Optimization

Groups and Persons

David Deaven's Research Page
Home Page of Bernd Pfrommer
MRC Bioinformatics and Structural Analysis Project
Oliver Smart's home page

Methods

From Genetic Algorithms To Efficient Optimization
Genetic Algorithm - Ames Laboratory
Genetic Algorithm Structural Optimization
Genetic Algorithms and the Thomson Problem
Large Scale Geometry Optimisation
Linear Optimisation and Numerical Analysis MX3503
Minimising Investment with Dynamic Simulation
Optimization lectures Lecture 1(a) Introduction

Publications

Adaption of Simulated Annealing to Chemical Optimization Problems
C2-3 Hamiltonian Mechanics 1998 Bibliography
David Deaven's Reprints
Large-Scale Optimization With Applications Molecular Structure and Optimization (Part 3)(Ima Volumes in Mathematics and Its A
Optimization Methods and Software
SPRINGER TOOLBAR

Software

Algorithmic Generation of Molecular Structures
ASA-README.html file of Lester Ingber's Code and Reprint Archive
http--www-fp.mcs.anl.gov-otc-Guide-gifs-new-bar.gif
LoptCG - Script for numerical gradient optimization
Macromodel Home Page
NEOS Guide Optimization Software
software - BIP
STATIC A Scalable Tight-Binding Total Energy Evaluation Code

DGSOL
ENERGY GRADIENTS AND GEOMETRY OPTIMIZATION
Geometry Optimization and Conformational Analysis through Generalized Simulated Annealing
Geometry Optimization
MULTIVARIABLE OPTIMIZATION APPROCH FOR THE CONSTRUCTION OF MANY-BODY POTENTIALS
Optimization in Physics

CHEM1211 - Schaefer Lectures
Condensed Matter and Materials Physics
CSAR Applying for Resources
Features Theoretical and Computational Chemistry at Manchester University
Frame-kcm
http--antas.agraria.uniss.it-molmod.html
http--antas.agraria.uniss.it-software.html
Molecular Modeling Group at DISAABA
Theoretical software Page

Chemistry & Physics Links

Data Base

Tutorials

Physical Chemistry Facts

1000 Most Cited Chemists 1981-1997
1996 PACS - Hierarchical List
1999 PACS
Brillouin's zones
Canada Institute for Scientific and Technical Information (CISTI) - Library
CCL Home Page
Chemical Physics Preprint Database
Chemist's Art Gallery
Compaq.com - HPTC Infocenter - Parallel Applications - Benchmarks
Computational Complexity [ResearchIndex; NEC Research Institute; Steve Lawrence, Kurt Bollacker, Lee Giles]
CSAR Site Map
Databases - NIH CCM
DBcat - The Biocatalog
Electronegativities
Electronic Structures Database
Eric Weisstein's World of Mathematics
Favorite Mathematical Constants
Genamics SoftwareSeek - Molecular Biology and Biochemistry Software and Online Tools Database
http--theory.gsi.de-the-pacs96-pacs96_82.html
http--www.nap.edu-readingroom-books-mctcc-contents.html
Hydrogen Compounds- Compounds of Hydrogen
ICE
KryssTal The Elements
Login to Quantum Chemistry Literature DataBase
Mailbase - Mailing List Service
Movies and Animation in Chemistry
Oxford Research Online the Sciences and Medicine
Periodic Table
Quantum Computing [ResearchIndex; NEC Research Institute; Steve Lawrence, Kurt Bollacker, Lee Giles]
Recommended texts
SIS, NLM Chemical Structure Searching Server
The Journal of Chemical Physics
Tight-Binding parameters periodic table
VSEPR Table (Molecule Rotations)
Welcome to the OVPIT AFS Cell
WM's Chemical, Physical, & other Technical Sciences
Your base for everything in Chemistry

General Links

Academic Resources Channel - Web Sites by RealSci Categories and RSCI Numbers
Advanced Technology Center for Molecular Research Resources
Australian Chemistry Network
Biochemistry I WWW Sites
BioChemNet
Bookmarks for Anthony Dyson
ChemCenter The American Chemical Society Online
Chemist's Art Gallery
Chemistry - Links for Chemists - Titlebar
Chemistry - Links for Chemists - Topics - Electrochemistry
Chemistry - Links for Chemists
Chemistry Best of the Web 1996
Chemistry index
Chemistry Links (2)
Chemistry Links - UK
Chemistry Links
Chemistry related WWW information servers
Chemistry Resources
Chemistry Web Home Page
Chemistry WWW Links for Chemists at Liverpool University
Chemistry WWW Servers
ChemoInformatics Consulting
Collection of Links to Modeling and-or Simulation Pages-Resources
Commercial Chemistry WWW Sites
Computational Chemistry at Darmstadt
Computational Chemistry List Home
Computational Chemistry Resources on the WWW
Computational Science Resources Chemistry Resources
Computer Physics Communications Program Library
Computing Links - Ohio Univ.
CS ChemFinder
External Links Theoretical and Computational Chemistry Group
Galaxy's Chemistry Links
Gateway to Physical Chemistry
Institut für Theoretische Teilchenphysik - Links
KryssTal Chemistry Links
MDL Information Systems - Support - Technical Solutions
NetSci The NetSci Science Center
NIH - Center for Molecular Modeling
OSU Physics Links to Other WWW Pages
Other sites of general interest....
Oxford Research Online Index
Particle-Surface Resources on the Internet
Phil Lindan Computer simulation and general science links
Pointers to Useful Web Sites
PY105 - Elementary Physics
RESEARCH Links
Rolf Claessen's Chemistry list
Science Links - Ohio Univ.
Science on the Web
ScienceDirect
Soaring Bear's Links
Suggested chemistry sites
Super Chemistry and Biology Links
The Australian Chemistry Network list of Chemistry Resources on the Web
The European Chemistry Departments and Institutes
The Sites related to Chemistry
The World-Wide Web Virtual Library Chemistry
Tips & Tools for Nonlinear Dynamics (Abkürzungen, Abbreviations)
Useful Physics Links
Visualizations in Materials Science
Water Science Network - Computational Methods
Welcome to the ARL MSRC
WM's Chemical, Physical, & other Technical Sciences
Yahoo Chemistry Directory
Yahoo Physics Directory
Yahoo! Chemistry links
Yahoo! ScienceChemistryComputational Chemistry

Institutes and Organizations

Analytical Chemistry - Instrumentation Companies and Other Commercial Sources on the Web
CCL.NET Home Page
Chemical Computing Group Inc.
ChIN's Home Page
CMBI - Home Page Top
Computational Physics - Carleton University
Computational Physics Resource on the Internet
Computer Chemistry Center
Department of Chemistry, Imperial College.
ETH Zurich Homepage
Home Page - Lehrstuhl Biopolymere - Universität Bayreuth
Institute of Chemistry - Physical and Theoretical Chemistry
Mathematical Challenges from Theoretical-Computational Chemistry
Molecular Modeling
Phyics Department Course Descriptions
Physical Sciences
Physics Links
Physics-Applied Physics at Michigan Tech
Quantum Theory Project
Science - IBM Researc
Theoretical and Computational Chemistry Group at Sapporo University
Theoretical Chemistry Lab - SNU Korea
Welcome to ITP
Welcome to Springer

Journals

1999 PACS
A Taylor & Francis Journal Molecular Physics
Advances in Quantum Chemistry
arXiv.org e-Print archive
Chemistry Journals hosted in the ChemWeb Library
Chemistry Journals
Computational Chemistry Journals
Computer Science Directory [ResearchIndex; Steve Lawrence, Kurt Bollacker, Lee Giles; NEC Research Institute]
Education Gazette Science Corner
FRONTIERS IN BIOSCIENCE, A JOURNAL AND VIRTUAL LIBRARY
International Journal of Quantum Chemistry
J. Phys. Chem.
JCE Internet Articles
John Wiley & Sons, Inc., Publishers
Journal of Computational Chemistry
Journal of Physics and Chemistry of Solids
Journal of the American Ceramics Society
Journal Title List
JRNL-JOM-9908 - JOM August 1999
Mathematics and Computers in Simulation
Molecules, Journal of Synthetic Chemistry and Natural Product Chemistry
Nuclear Instruments And Methods In Physics Research Section B Beam, Vol 147, Issue 1-4, January 1, 1999
Online Journals from the RSC
Online Journals
PCCP Editorial
physica status solidi (a),(b) -- Defects
physica status solidi - Homepage
Physics Express Letters Main Menu
REVIEWS IN COMPUTATIONAL CHEMISTRY
Science journals
ScienceDirect
Springer Chemistry
Springer LINK Journal of Molecular Modeling
Springer LINK Theoretical Chemistry Accounts - Table of Contents Online First Publications
The Journal of Chemical Physics
The Journal of Physical Chemistry Home Page
Welcome to Springer
Wiley InterScience Home Page
WILEY-VCH Berlin -- Journals
www.iop.org from The Institute of Physics

Publications

1998 Physics and Astronomy Classification Scheme (PACS)
abstract physics-9810032
APS Editorial Offices
arXiv.org e-Print archive
Atomic and Molecular Clusters - Publications
Available volumes for The Journal of Chemical Physics
CASTEP Publications Surfaces
CASTEP Publications
Chemical Physics Preprint Database
Chemistry Textbooks in Print Archive
ChemWeb features searchable chemistry journals and databases, jobs, chemical books, software an
CLASSICAL AND QUANTUM DYNAMICS IN CONDENSED PHASE SIMULATIONS
Computational Materials Science - frontpage
Computational Materials Science
Condensed Matter
Create Adobe PDF Online
Elsevier Science - science
Elsevier Science Your gateway to science
Elsevier Science Browse
Elsevier Science Search
Features Theoretical and Computational Chemistry at Manchester University
http--aries.ucsd.edu-PROPERTIES-
http--parrserv2.mpi-stuttgart.mpg.de-Publications.html
http--www.elsevier.nl-locate-physrep
http--www.ks.uiuc.edu-Publications-Papers-getref.plmypub_ind=5
http--www.tcm.phy.cam.ac.uk-~mdt26-crystal_refs.html
IJMPC
IOP Publishing Electronic Journals
journal abstracts
Journal of Chemical Education
JOURNALS
List of Publications
Molecular Dynamics Publications
NetSci's Science Center Computational Chemistry
New Journal of Physics
Online Journal Publishing Service Home Page
Oxford University Press
PCCP Homepage
Periodic Hartree-Fock Studies of Ice VIII
Physical Review B online
Physics Links
Physics Newsletter - A World Scientific Publication
Physics Reports
Potential Energy Surfaces and Molecular Electronic Structure
Preprint Bulletin Boards
PrePRINT Network - Energy, Science, and Technology Preprint Information - US Department of Energy
PROLA Search Form
Publications in the field of Molecular Dynamics
Publications of NCSA Condensed Matter Physics Group
Publications
References Search Engine and Lists
Springer LINK The European Physical Journal D - Abstract Volume 7 Issue 2 (1999) pp 219-227
Springer
Supercomputing Institute 1998 Research Reports
Supercomputing Institute Research Reports
TCM Group Publications
Teraflop Report
The Abdus Salam ICTP Library
The CCP1 Newletter
The Journal of Chemical Physics
The Journal of Physical Chemistry Home Page
Theory Group Publications 1992-6
UW Libraries - Chemistry
Volume-Issue List for Applied Surface Science
Volume-Issue List for Solid State Communications
Volume-Issue List for Surface Science
World Scientific - An International Publisher

Software - General

3.4 Software d'aplicacions
A GENERAL-PURPOSE MD CODE
ABCC - Application Software
ACE-gr Home
AMBER
Ames Lab Classical Molecular Dynamics Source Code
Applications on PARAM
ArgusLab Website
Atomic and Molecular Clusters - Software
Australian Chemistry Network Unix Software Resources
Babel Download Page
BALSAC - www.arl.hpc.mil
bind 3.x distributions
CASTEP and CETEP Pages
CCL Software
CCM Software Catalog
CD Chemistry Software Collection of QUANTUM Studio, DIT, OGMI, Odessa, Ukraine
Chem2Pac homepage
Chemistry - Links for Chemists - Reference - Molecular Modelling
Chemistry Applications Supported at NCHC
Chemistry Packages List
Chemistry Software
Chemists With Computers
CMBI - MOLDEN Registration
CMBI - MOLDEN
Comp Chem Software
CompuChem Software Chemie - Computational Chemistry - Molecular Design - Lehrsoftware
Computation Software Information
Computational Chemistry at the ARC
Computational Chemistry Software
Computer Physics Communications Program Library
Computer Programs for Data Processing
Computing
CRYSTAL - Electronic Structure of Periodic Systems
CRYSTAL - The Electronic Structure of Periodic Systems
CSAR Administration - Application Classes For a Running Account
CSAR Applying for Resources
CSAR Computational Chemistry software
CSE - DISCO
CSSJ Software World-E
David Deaven's software distribution
DePhiLambda home page
Description of the MOLDRAW program
Discovery Software Products
DL_POLY
DoD HPC Scalable Software Initiative
Download
Downloadable Software from the Geometry Center
ESM Software Software for Materials Science
External Programs and Databases
File Formats & Support
GAMESOL Home Page
GAMESS-UK Home Page
Gaussian Basis Set Order Form
GC3 Software archive archived by type of software
Geomview
GJ's software - Homepage
Graphics Interface for OpenMol (gOpenMol)
Graphics Programs
GULP
How to get a copy of Molden
http--beam.helsinki.fi-~knordlun-mdh-mdh_program.html
http--www.cooper.edu-engineering-chemechem-MMC-software.html
http--www.worldchat.com-public-spacegrp-co96.htm
HyperSpin homepage
ICON-EDiT
Index of -computerrel-Software-
ITAP Molecular Dynamics - Interfaces (IMD-IF)
Lester Ingber's Code and Reprint Archive (ASA-CODE)
Lester Ingber's Code and Reprint Archive
Links2go - Molecular Linux
Linux and Chemistry
LiveGraphics3D Homepage
Lucretius is a molecular dynamics simulation program
manual Molden
Mapple Kitt
Mathcad and StudyWorks Files on the Web
MDynamix a Molecular Dynamics Program
MIME types for Chemistry
MOBY 1.5, English
Mol2Mol - Molecule File Converter
MOLDA HOME PAGE - The World of Molecular Arts, Science and Technology
MOLDEN a visualization program of molecular and electronic structure
Molecular Dynamics
Molecular Modeling Software at CENAPAD-MG-CO
Molecular Modelling Software
MOLPRO quantum chemistry Package
National High Performance Computing Applying for Resources
NetSci Chemistry Display Software
NetSci MM-MD Software Listing
NetSci Software Lists
nt Freeware english
NWChem Home Page
Oxford Molecular Software List
PC GAMESS
Per Stoltze
PNG (Portable Network Graphics) Home Site
Proggy I.N.C.
Q main page
QCPE Information
QTRFIT -- Rigid Molecule Superposition
Quantum Chemistry & Molecular Dynamics
QuickTime Download
RasMol Home Page
RasMol Manual Table of Contents
Recommended software for chemists
Rolf Claessen's Chemistry Index
SAL- Other Scientific Fields - Chemistry, Biology & Related
Search software in the database
Simulation Software
Simulations programs in ILL
SINCRIS software Babel
SMOG -- Possible Isomers
Software am Lehrstuhl für Biopolymere
Software and Computers
Software Archives and Unzipping
Software Developments
Software for Chemistry - Download Evaluation Copies - Software Chemie - Demoversionen
Software in the Md Group
Software Link from MathMol
Software Mecánica Cuántica
Software
Standardization of computational chemistry software.
Supercomputing Institute Scientific Development & Visualization Lab
The Babel Home Page
THE CCP5 PROGRAM LIBRARY
The GROMOS home page
The Internet as a Computational Chemistry Tool
The PSI88 Molecular Orbital Plotting Package
The Tested Software Repository
THINGS OF INTEREST TO NUMBER THEORISTS
Third party graphics codes
tom's Free Chemistry Software Reference - Z
VASP Program
Welcome to MathSoft, Inc.
What is JEEP
Xmgr Introduction
Yet An other Resource List (YARL)-Leif Laaksonen
ZINDO
[fm] welcome to freshmeat.net
[Scientific Applications on Linux]

Tutorials

An Introduction to Physically Based Modeling
Andy Witkin's Gallery
ATOMIC STRUCTURE; PROPERTIES OF WATER; ORGANIC MOLECULES
Baraff Technical Reports and Reprints
Biochemistry I Home Page
Biochemistry I WWW Sites
Chemical Education - Theoretical Chemistry
Chemical Physics Preprint Database
Chemistry at the World Lecture Hall
CLASSICAL ELECTRODYNAMICS for Undergraduates ROUGH DRAFT - not complete !
Classical Mechanics, 2nd ed.
Computational Physics -- 3rd-4th Year Option
Contents-Energy Research Computational Community
Course list for B.Sc. in physics
CSAR Software
David Young's selected Topics in Computational Chemistry
Equazione di Schrödinger
General Physics for Bio-Science Majors 171.103
Geometry
GMIN User Guide
Gopenmol--tutorials
Graduate Courses and Web-based Talks
HyperPhysics Concepts
Information on MechLab
Introductory Physics Notes
John Templeton Foundation
Links to various documentation web pages
Maple V Application Center
Mathematical Challenges from Theoretical-Computational Chemistry
MOLDEN a visualization program of molecular and electronic structure
MSI OnLibrary
Phyics Department Course Descriptions
PHYSICAL CHEMISTRY Introduction
Physics 1 - Mechanics Course Outline
Physics at the World Lecture Hall
Principles and Applications of Stereochemistry by Michael North Front Cover
QTRFIT - Tutorial
QUANTUM PHYSICS I rough draft - not complete !
QUANTUM PHYSICS II rough draft - not complete !
química_teoria
Selected Classic Papers from the History of Chemistry
Solving Molecular Problems on Scales from Electrons to Macromolecules
Strategian Strategic Guide to Quality Information in Biology, Chemistry, Computer Science, Mathematics, Medicine, Physics, and
Suggested chemistry sites
Wilson·Squier Education
Xmgr Introduction

Crystallography

Groups

LE CRMC2
Mineralogy and Crystallography Institute - Uni Goettingen
XRAY Facility

Publications and Tutorials

Brillouin's zones
Cambridge Crystallographic Data Base Search Demo
Cambridge Crystallographic Data Center
Crystal Lattice Structures
Crystal Structures of the Transition Elements.
Predicting Microstructure from Atomistic Rule Set Cellular Automata
Rasmol Home Page Guest Book
Simple Crystal Structure
Structure Determination from Powder Diffraction - Database

Software

BALSAC Version 2.12 Manual, Table of Contents
CaRIne
Crystallographic Programs
Crystallography Instruction Software
Description of program br
ESM Software CaRIne Crystallography
ESM Software MacPDF
GULP (General Utility Lattice Program)
Mol2Mol - Molecule File Converter
Molecules-2000 - 3D Library of Important Molecules
NetSci Crystallography Software Listing
ORTEP-III - CCP14
ORTEP-III
program listing
RasMol Home Page
STRUCTURES FROM X-RAY LABORATORY
Van Hove Software and Databases
WebMolecules - Categories

Electrochemistry

Analytical Chemistry - Electrochemistry
Chemistry-related links ordered by Subject
Dr.K.Y.Chan - Molecular and Electrochemical Phenomena at Interfaces
Electrochemical Simulations Package, ESP
Electrochemistry Forum from ChemWeb.com is the online club for electrochemists. The Forum features searchable electrochemistry
The Electrochemical Society

Jobs

PostDocs in P-Chem Page

Manuals and Tutorials

A Scalable Substructuring Method by Lagrange Multipliers for Plate Bending Problems
Advanced Scientific Computing, B673
An Introduction to Surface Chemistry
Atomic valences and bond orders for crystals in HF SCF theory
Atomistic Computer Simulation of Materials
Bang! Boing! Pop!
C3 Computational Physics 1999
chem647 '96 - Title
Chemistry 8021
CHEMystery An Interactive Guide to Chemistry
CMC Modelling Guide
Computation Physics - Carleton University - Course Outline
Cooper Union Classes and Course Work Home Page
Course Molecular Dynamics
Course Overview for Atomic Scale Simulation
cpSURF Home Page
Designing and Creating a World Wide Web Page
Diffusion in Polymers and Membranes
Documentation for local computer programs
Dynamic and Stochastic Protein Simulations BRFrom Peptides to Viruses
Dynamics Course Outline
englishpractice.com
Feynman's Talk
General Chemistry Concepts
http--guernsey.uoregon.edu-~phdemo-demo-index.html
http--gutenberg.llnl.gov-~colvin-intro-intro.html
http--www.cooper.edu-engineering-chemechem-MMC-tutor.html
IAN'S INTRODUCTION TO SIMULATED ANNEALING
Introduction to Macromolecular Simulation
Introduction to Molecular Modeling
Introduction to Tilings (Science U)
Introductory University Chemistry II Course Outline
Learning Center Introduction
Links Theory
MSI OnLibrary
Non-linear Optimisation Problems
On Convergence Acceleration for the Iterative Solution of the Inverse Dyson Equation
Overview Solvate Software
Periodic Table
Physics 1 - Mechanics Course Outline
Pushing Particles
SHAKE, rattle, and roll Efficient constraint algorithms for linked rigid bodies - Volume 19, Number 1, Page 102 - 15 January 1
Undergraduate Theoretical Physics Courses
WLJ Group Software Manuals

NanoScale and Material Science

BioSystems

Kumar Research Group
Molecular Packing Analysis

Catalysis

Groups

catalyse - Univ Llyon (theomo)
Catalyst User Group
CNRS-IRC, surfaces et métaux en catalyse
Groups Working on Catalysis in Germany
Heterogeneous catalysis and surface science
INSTITUT DE RECHERCHE SUR LA CATALYSE
UCLA's Chemical Reaction Engineering (CRE) Laboratory

Catalyst User Group

Groups

Ames Laboratory Condensed Matter Physics Group
Ames Laboratory Condensed Matter Theory Group
Amir Farajian's Homepage
Atomistic Simulation Group
AVXM Partnership Software for simulation of thin film growth
Brad Hein's Nanotechnology Site
Caltech ASCI-ASAP Materials Properties
CAMP at DTU
CAMP Homepage
CCM -- ARL PET
CCP9
Center for Condensed Matter Physics
Center for Materials Research at The Ohio State University
Center for Molecular Modeling
Centre for Computational Materials Science (NRL Code 6390 Home Page)
Centre for Molecular and Biomolecular Informatics
Chemistry at UCLA, Theoretical-Computational
Computational Chemistry and Materials Science(CCM)
Computational Electronics Group
Computational Materials Science Group
Computational Physics - Carleton University
Computational Physics Resource on the Internet
Computational Solid State Chemistry, University of Bristol
Computer Modelling & Simulation
COMPUTER MODELLING OF MOLECULES AND SOLIDS - Dr. N. L. Allan
Condensed Matter & Materials Physics,UCL
Condensed Matter and Materials Physics
CONDENSED MATTER PHYSICS
Cornell Center for Materials Research (CCMR)
CSE - Computational Materials Science Group
Daresbury Labs
Department of Physics and Astronomy Homepage
Design of Materials Computational Prediction of Materials Properties at George Mason University
Dr David J. Wales
Dr. Jeffry Madura
Dynamics and Pattern Formation
E.E.S. Home (English) - Saporo, Jp.
ESF - Physical and Engineering Sciences - STRUCb
EUGENE KOTOMIN
Final Project for 18.337 Parallel Scientific Computing
Florian Müller-Plathe's Home Page
FOM-Institute for Atomic and Molecular Physics [ AMOLF ]
Home Page - Lehrstuhl Biopolymere - Universität Bayreuth
HOME PAGE OF DR GALE
home page
Home-Page of the sand group at the Humboldt University
http--fy.chalmers.se-mtrl-icons-cmap.gif
http--mmm.mit.edu-~liju99-
http--planck.physics.mun.ca-clouter-clouter.gif
http--www.ch.cam.ac.uk-CUCL-
http--www.nas.nasa.gov-~deepak-home.html
HUT-Physics, Homepage of EPM Group
Institute of Chemical Engineering-HT - FORTH
IPT on Device-Process Modeling and Nanotechnology
Jakob Schiøtz' homepage
John Finney
Ju Li's Simulation Archive - Ice
Keele Computational Physics Group
Kenichiro Koga
Laboratory of Atomic and Solid State Physics - Cornell
Laboratory of Molecular Electrochemistry, Università di Torino and Università del Piemonte Orientale Amedeo Avogadro
Laird Homepage
LDRD Project WWW Home Page
Lev Kantorovich
Liao, Dongyi
Lisa Porter
Lubomir Skala - Charles Univ., Czech Rep.
M. J. Gillan home page
Maria Alfredsson
Massachusetts Institute of Technology
Materialia -Materialia-Biosym-faststruc.htc
Materials and Process Simulation Center Home Page
Materials Home Page
Materials Modelling Laboratory - Research Introduction
Materials Research Laboratory
Materials Simulation Science Department (9225)
Miyamoto Laboratory
Modelling of Zeolite Catalysis
Molecular and Electronic Nanostructures - Description
Molecular and Electronic Nanostructures
MOLECULAR MODELLING LABORATORY
Molecular Simulation Home Page
Molecular Simulation Mike Allen Page
Molecular Structures Group, University of Kansas
Molecular-Based Study of Fluids and Amorphous Materials
nano
Nanotechnology- Artificial Intelligence Net Links
Nanotechnology
NAS Computational Molecular Nanotechnology
NCSA Condensed Matter Physics Home Page
Niels E. Christensen
NM Harrison's home page
P.W.M. Jacobs
Paulette Clancy and Mike Teter - Improved Algorithms for the Computer Simulation of Materials Processing
Per Stoltze
Physics Computing Facility - Ohaio Univ.
Physics Research@MIT Condensed Matter Physics
Physics-Applied Physics at Michigan Tech
Prof. Arias's Home Page
Prof. Arias's Xolas Home Page
Prof. C. R. A. Catlow
Prof. David Clary
Professor Mike Drew
Projects in the Theoretical Physics Group
Robert E. Rudd
Roger Smith's Homepage
Roland E.A. - TAMU
Ronald E. Cohen Selected Research since 1997
Royal Institution of Great Britain
Sean Morgan's Nanotechnology Pages
SISSA Condensed Matter Sector
Steve's Molecular Modeling Bookmarks
Terry P. Lybrand
Texas Tech Physics Faculty Profile Stefan K. Estreicher
The Hoffmann Group Home Page
The Laird Research Group
The Nanoscale Physics Research Laboratory
The Research Page of Computational Physics
Theoretical Chemistry Group in Torino
Theoretical condensed matter physics
Theoretical Semiconductor Physics at Exeter
Theory of Condensed Matter Group
theory
Valera Veryazov
Virtual Matter Laboratory front page
Wales group home page clusters, energy landscapes and global minima
Ware's home page - Nanotechnology
Welcome to Jamie's Home
Yuichi Hashi's Home Page

Links

Bookmarks for Dongyi Liao - MIT
CCP5 Computer Simulation of Condensed Phases
MIT - Computing Links
Molecular Simulation Links Page
Nanotechnology on the WWW
States of Matter Websites
Theory of Condensed Matter Group

Pubications

1998 NERSC Annual Report
Atomic and Molecular Clusters - Publications
Bonding in Inorganic Materials
Chemical Physics authors-titles May '95
Complex Systems Theory Preprint-Reprint Server
Computational Materials Science
Computational study of framework vibrations in zeolites
cond-mat authors-title search for 'Hermann Stoll' all years (1992-2000)
cond-mat authors-title search for 'Klaus Doll' all years (1992-2000)
Dr. R. Jones publications by date
Dynamics home page
Embedded Cluster Potentials and the acidity of zeolite and SAPO34
Energetics, Structure, Mechanical and Vibrational Properties of Single Walled Carbon Nanotubes (SWNT)
Group Publications 1997 -Keele Computational Physics Group
L.Kantorovich List of Publications
Large Scale Geometry Optimisation
Liste der Preprints - Numerical Simulations - Chemnitz Tech. Univ.
Modelling and Simulation in Materials Science and Engineering
Publications - N.E. Christiansen
Publications at http--btcpxx.che.uni-bayreuth.de-pubverweis.html
Publications, Reports, Seminars, Colloqia
Recent Publications J.R. Morris
Scientific Articles - MSI
Talks and Posters - Nanotehnology - MD
Theory Department Publications (FHI)
Theses at the Materials and Process Simulation Center

Software

CHSSI CCM Tight-Binding Software for High Performance Computers
Computer Physics Communications Program Library
ESM Software Software for Materials Science
MSI OnLibrary
NanoCAD, a freeware nanotech design system in Java
Quantum Chemistry Program Exchange
Software - ARL MSRC
Software at Computational Materials Science Group
THE CCP5 PROGRAM LIBRARY
Universal Molecular Modeling Software List

Surface Science

Links

Links

Surface Science Laboratories' Resource Links
The Surface Science Forum Links
Van Hove Web Links

Canadian Surface Science links
Chemistry Links for Chemists Reference Surface Science
Particle-Surface Resources on the Internet
Surface Chemistry Resources
Surface Science Forum
Surface Science Index
Surface Science Laboratories' Resource Links
Surface Theory Web Center
The Surface Science Forum Links
Van Hove - Surface Picture Gallery
Van Hove Web Links

People and Groups

Atomistic Simulation of Solids and Surfaces
Bio for Kai-Ming Ho
Computational Surface Chemistry
DEA MATIERE CONDENSEE, SURFACES ET INTERFACES
Dipartimento di Chimica - Chimica Fisica delle Interfasi e Superfici
Dr. Slump's Home Page
Franco Jona
George Darling
Gerraldine L. Richmond
HOME PAGE OF DR GALE
ICTP-CM Research Profile Surface and Interface Physics
IRC in Surface Science Homepage
kanghc
Markus Karolewski Home page (SIMKIT Program)
NM Harrison's home page
Prof. Dr. Roland Feder
Professor David King
Rajiv Shah's Research interests
Research- Surfaces and Interfaces
Research
RLE - Surfaces and Interfaces Group
RUU Atomic and Interface Physics
Server of the Solid Surfaces Group
SJG Surface Science Research Group Research Interests
Stephen Holloway
Surface Analysis Society of Japan
Surface Physics Group - Home Page
Surface Physics of the MLU Halle, Germany
Surface Physics SISSA Group
Surface Science Forum
Surface Science Western
Surface Theory Home Page - M.A. van Hove
Surface Theory Home Page
Tapio's homepage at HUT and HIP
Theory Department Prof. Dr. Klaus Hermann
University of North Texas Surface Science Laboratory
Van Hove Home Page
Welcome to the Rappe Group

Publications

Acid-base catalysis in zeolites from first principles
ALS Workshop Proceedings - Van Hove
APSIACSingapore.html]
Atomic and ion collisions in solids and at surfaces
David H. Gay (Publications)
Elsevier Science Browse - Solid surface modeling
PhD thesis, Rajiv Shah
Publications of Peter E. Blöchl
Recent Publications Dr Andrew Hodgson
Report of the 1990 ALS Workshop on CHALLENGES FOR INTERFACE THEORY
Surface Science (including Surface Science Letters)
Theory Group Publications 1992-6
Trajectory Simulations of Gas-Surface Scattering
Van Hove full publication list
VH full publication list

Software

BALSAC
CLUSTER Manual, Table of Contents
Crystal-TRIM - Forschungszentrum Rossendorf
MSCD Overview
Simulation for Atomic Collisions in Solids Software (SIMKIT)
The MDRANGE (MDH) program
The Surface Science Forum software

Systems

MgO(100)+(2x2)-C2H2
MSCD Sample Data Files
Oxide surface chemistry
Potassium adsorption on TiO2 (100)
Projects LEED highlights
Simulation of Surface Relaxation and Reconstructions
TiO2 Surface chemistry from first principles

ACETYLENE CSUB2-SUBHSUB2-SUB ADSORBED ONTO MgO(001) STRUCTURE AND THERMODYNAMICS
homepage of spm
http--www.wag.caltech.edu-msc99-talks-b4-FULL_TALK-talk_1.gif
Interface chemistry, colloids and catalysis
Surface Science Manchester UK.
Surface Science Research Centre Homepage
The Molecular Collisions Page.

Systems

Carbons (Graphyte,Diamond)

Carbon and Related Structures
Carbon Anions - Macromolecular Modelling
Computational Studies of Hydrogen on Diamond, Silicon Surfaces
Electronic Structure Methods With Applications to Amorphous Semiconductors
Graphite Page by John A. Jaszczak
Lew Yan Voon, Lok C. - Empirical Tight Binding Model
Mechanical properties of Diamond
Recent work with Tight-Binding Molecular Dynamics at Ames Lab
TBS of Amorphous and Liquid Carbon
The Nanotube Site
Tight-Binding Molecular Dynamics Simulation of the Growth of Diamond
Tight-Binding Study of Tilt Grain Boundaries in Diamond

Ice & Water

!TITLEFire and Ice The Nature Of Natural Gas Hydrates!-TITLE
About Water and Ice
Amazon.com info Molecular motions in ice
Amorphous and Crystalline Ice Growth
Anthony Stone - Publications (water - ice)
Anthony Stone Publications
Anthony Stone Supplementary material
Articles by Alex Kaivarainen
Basic Research Ice Properties and Processes
Bits of Ice XI and Ice XII
CDR RS - Glace (J. Suzanne)
Centre Européen de Calcul Atomique et Moléculaire
Clathrates, Freezing and Crystal Liquid Interfaces
Computer Simulation of Astrophysical Ices
Crystalinization of amorphous water - article
CV.html
Division of Geoscience
Dr. Igor M. Svishchev
Dr. R. Jones publications by date
Dr. R. Jones publications by first author Jones
Dynamics home page (water,ice)
Dynamics home page - ice article
edchemistry.tripod.com-soft.html
Energy transfer in water
Glaciology
Gordon Research Conference Interaction of Water with Solid Surfaces
Guile Mailing List Archive Re what does `ice' stand for
Home Page for Prof. Greg Sitz's Lab
Homepage of Patrik Andersson
http--ojps.aip.org-journal_cgi-getabsKEY=PRLTAO&cvips=PRLTAO000080000012002638000001&gifs=No
http--risu.lowtem.hokudai.ac.jp-englishtitle.GIF
Hydrogen Bond Disorder in Ice Structures
ICE - Short Description
Ice - www.cse.dl.ac.uk
Ice Physics in the UW Physics Department
Ice(0001) - melting
Ice(0001) - Picture
Ice-Crystal Mechanisms the formation of freezing rain
ICE
index
InSCIght - 8 April 1998 Atomic Ice, Slick Like a Liquid
International Arctic Buoy Programme (IABP-PSC-APL-UW-US)
Investigation of the Reaction of HCl and Ice
John Finney
Lieb's Square Ice Constant
liju99-Archive-Simulation-Ice
Mail Index obout water
mki Uni Goettingen
Modelling H5O2+.
Molecular Beams - H2O ads
Molecular Dynamics Simulation of Liquid Water.
National Snow and Ice Data Center
Optimization of the cyclone geometry for the separation of water in oil dispersions
Periodic Hartree-Fock Studies of ice VIII.
Periodic Hartree-Fock Studies of Ice VIII
Phonon Modes in Ice II.
Picu, Catalin
Rearrangement of the hydrogen bonded network of the clathrate hydrates encaging polar guest Mole. Sim., 1996, 16, 151.
SPC-E water results
Summary, Amorphous and Crystalline Ice Growth
Supercooled water Liquid-liquid phase transition and new critical point
Surface difussion of water on ice using molecular dynamics
Surface Water Models and Modeling-Modelling Links
The flying ice cube Velocity rescaling in molecular dynamics leads to violation of energy equipartition - Volume 19, Number 7,
The Molecular Surface Structure of a Low-Temperature Ice Ih(0001) Crystal
The Structure of Ice and its Role in Stratospheric Chlorine Nitrate Chemistry Introduction to
UW Department of Atmospheric Sciences
Water and Ice
Water dimer intermolecular vibrations
Water Module
Water Science Homepage
welcome.html
Work on ice at NASA-Ames Research Center's Space Science Microscopy Lab
WorkPage 90235g World Locator for New Research
[MMTK] bulding water ice; problems with Peter's code

IOnic Systems

Actual research projects
An Introduction to Ionic Compounds
Band and local properties of the electronic structure of NiCl2
Calculation of the NMR shielding of O in MgO at high temperature - Physics and Chemistry of Minerals - 25 (1998) 453
Ceramic Oxides
Current First Principles Calculations Research
Defects in ionic compounds.
Defects in Metal Oxides
Diffusion in MgO at high pressure Implications for lower mantle rheology
Influence of Crystal Lattice Defects on Exchange-Bias Films
LEARNING SEQUENCE -PHASES AND PHASE DIAGRAMS
MgO Magnesium Oxide Single Crystal Substrates - SPI Supplies
MTU - Physics - Pandey - Publications
QUANTUM CHEMISTRY OF MATERIALS
Semi-empirical calculations of defects in oxide crystals.
Topological Defects Phase Transitions Network

TiO2

Titanium Dioxide - http--www.cse.dl.ac.uk

Zeolites

Acid-base catalysis in zeolites from first principles
An introduction to Zeolites and Molecular Sieves-UMIST
Computational study of framework vibrations in zeolites
Current Applications of Zeolites
Introduction of Zeolites - http--www.cse.dl.ac.uk
Methanol adsorption on zeolites
Mineral Gallery - The Zeolite Group
National Zeolite Industries - Introduction to Zeolites
PhD thesis, Rajiv Shah
The active sites of microporous solid acid catalysts
zeolites WWW refs

Bonding in Inorganic Materials
hetero-Si studies
The mechanism of tritium diffusion in lithium oxide
The Nanotube Site

Tutorials

Atomic Structure of Interfaces, Dislocations, and Defects
ATOMIC-SCALE SIMULATIONS OF NANOCRYSTALLINE METALS
Crystal Lattice Structures
Development and Applications of the Hartree-Fock Method in Materials Science
Effect of Substrate Orientation and Deposition Mode on the Tensile Strength and Toughness of Nb-Sapphire Interfaces
Introduction and Background
MATERIALS, METHODS, MICROSTRUCTURE, AND MAGNETISM
Mesoscale Simulations of Deformation Substructureand its Evolution During Annealing
Multi-scale MEMS Simulation Grand Challenge
NAB Documentation
tutorials - tutorials
Tutorials

Numerical methods

ACM Digital Library ALGORITHM 634 CONSTR and EVAL routines for fitting multinomials in a least-squares sense
APPROXIMATION METHODS
ASCL knox991001 - RADPACK A RADical compression analysis PACKage for fitting to the CMB
Atlantis Graphing-Math Software
Automated Identification of Southern Right Whales
Computation Physics - Carleton University - Minimization 1 of 29
Computational Methods - Generalized ALE Galerkin Finite Element Method
Computational Physics - Carleton University - Numerical Methods
Computational Science and Numerical Modeling Resources
Distribute executable Pixon method code
Eigensystems
Eric Weisstein's World of Mathematics
Fitting Procedures -- TABLE OF CONTENTS
GAMS Guide to Available Mathematical Software
Givens Rotations
HAKMEM -- CONTENTS -- DRAFT, NOT YET PROOFED
HAKMEM QUATERNIONS -- DRAFT, NOT YET PROOFED
Introduction to Quantum Computing, B679
Linear Algebra
Mathematical Methods for Physicists, 3rd ed.
Non-JPL Sources of Mathematical Software
Nonlinear Least Squares Fitting--from Eric Weisstein's World of Mathematics
NUMERICAL METHODS - download
Numerical Recipes Books On-Line - www.ulib.org
Numerical Recipes Books On-Line
Numerical Recipes Home Page
Numerical Recipes
Optim. Optimizer for external scripts.
Other Matrix Operations
SAL- Numerical Analysis - Source Code Repositories
SAS Data-Fitting Programs
StatCodes - On-line statistical software for astronomy and related fields
The Bulirsch-Stoer Method
The Householder-QR-QL Algorithm
The QR and QL Algorithms
Why not use Numerical Recipes

Organizations & Companies

Ames Laboratory Condensed Matter Theory Group
Bulgarian Academy of Science - Home page
Cecam Practical information
Chemical Societies From the World
Chemical Society
Chemistry Electrochemistry
ChemSoc Home Page
EBI, the European Bioinformatics Institute (EMBL Outstation, Hinxton, UK) serving the bioinformatics community
EU Institutions
EUREKA
European Network for Chemistry
European Physical Society (EPS) EurophysNet Welcome page
EUROPEAN SCIENCE FOUNDATION - main page
EUROPEAN SCIENCE FOUNDATION
FECS Homepage
FECS Working Party on Computational Chemistry
FOM Institute for Atomic and Molecular Physics [ AMOLF ] Homepage
Max-Planck Institute Stuttgart
Max-Planck-Institute Stuttgart
Molecular Dynamics Home Page
National Center for Computational Electronics
Online - KAIST
Other sites - European Organisations
ROMANIAN MATERIAL SCIENCE - CRYSTAL GROWTH SOCIETY
Supercomputing Institute Home Page
The Hungarian Academy of Sciences
The Official Website of the Nobel Foundation
The World Association of Theoretically Oriented Chemists
Welcome to the American Chemical Society Online - ChemCenter

Research Groups and People

Ames Laboratory Condensed Matter Theory Group
C4 Welcome
Cal State Fullerton Physics Department
Cambridge Theoretical Chemistry
CCLRC - CSE
CCP1 The Electronic Structure of Molecules
Center for Computational Quantum Chemistry
Center for Materials Simulation
Center for Molecular Modeling
Christopher J. Cramer
Computational and Theoretical Chemistry at Manchester University
Computational Electronics Group
Computational Materials Research Group
CSE - Coordination
CSE - Datasets
CSE - People - m.f.guest
Department of Chemistry, Imperial College.
Department of Chemistry
DePhiLambda home page
Dept of Chemical Engineering and Dept of Chemistry
Electronic Theory
ELTE Chemistry Home Page
Framed homepage of Michael Odelius
Fritz-Haber-Institut der MPG
Furio's home page
Gabor I. Csonka
Gabriel Balint-Kurti's Research and Teaching Page
Gordon Group Home Page
Hiroshi Ogawa
Home page Jonathan McNamara (Manchester University)
Home Page
Home-Page for John R. Sabin
http--www.ch.ic.ac.uk-gale-home.html
http--www.ch.ic.ac.uk-quirke-.index.html
ICM - Interdisciplinary Centre for Mathematical and Computational Modeling
Ilfir Ramazanov's Home Page
index
Marcio Cyrillo - personal info
Max-Planck Institute Stuttgart
McCammon Group Home Page
MD Group at Theoretical Chemistry, Univ. of Vienna
MDatFKI.html
Mike Towler's CRYSTAL95 resources page
Mike Towler
Molecular Dynamics group
Molecular Modeling Group at DISAABA
MPI Stuttgart - Maier
Niels E. Christensen
Per Stoltze
Research Activities at Physical Chemistry Group in Torino
Research Groups in Chemistry
research
Ronald E. Cohen Selected Research since 1997
Sansom Group Home page
Surface Water Models and Modeling-Modelling Links
The Calzaferri Research Group
The Parrinello Group
The van Gunsteren group's home page
Theoretical Biophysics Group Home Page
Theoretical Chemistry Group in Torino
Theoretical Chemistry Lab. I
Theoretical Chemistry
Theory Department
Tsukada Group
University of Liverpool, Department of Chemistry
UNIVERSITY OF OXFORD DEPARTMENT OF EARTH SCIENCES
Victor Luana HomePage
Werner W. Schulz
XML-CML
Yanhua Zhou's HomePage

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