Institute of Physical Chemistry "Ilie Murgulescu", Romanian Academy

High Performance Computing Group in Materials Science

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Computational Material Science

Lab of Molecular and Materials Simulation
Ignacio L. Garzón
MATERIALS DESIGN BY COMPUTER SIMULATION
Center for Molecular Modeling
BCCMS: Bremen Center for Computational Materials Science
Electronics Engineering Dep. - University of Rome Tor Vergata
        Condensed Matter Theory Group, Rome Tor Vergata 
Welcome to nano2hybrids
Virtual Library Chemistry Section
Systematic Enumeration of Crystalline Networks
ISPAS Simona (LCVN - UMR 5587)
Phil Lindan: Computer simulation and general science links
Ice Group Homepage
Research Group of Priv.-Doz. Dr. Timo Fleig
CCC - The Center for Computational Chemistry - About CCC
EMSL: Environmental Molecular Sciences Laboratory
Center for Atomistic Fabrication Technology
Markus J. Buehler, Massachusetts Institute of Technology
Molecularsimulation.org - web portal for molecular simulation
Zhenhao Duan Research Group - Programs
TheoChem at RUB - Research - Marx
Center for Computational Biology at Washington University Medical School in St. Louis
xemistry.com
Ice Group Homepage

Atomic Scale Simulations

Atomistic Simulation Group
Atomic Scale Simulation MatSE 485/Physics 466
Atomic-Scale Simulation - IRRMA
Atomic-Scale Measurements and Control in Chemistry, Physics, Electronics, and Biology in the Weiss Group
CAMD
Atomic scale characterization and fabrication
DTU Atomic-scale Materials Physics
Atomic Scale Design : Tools
Group for Simulation and Theory of Atomic-scale Phenomena
Salmeron group
Materials Modeling at the Atomic Scale
        Atomic and Molecular Scale Electronic Transport Simulations

Nanoscale Simulation

Nano Mechanics and Multi-scale Simulations
The Modeling and Simulation Group at FAMU-FSU
Nanoscale Modeling and Simulation - NSF 00-36
Theory And Simulation - CIN2
Advanced Nanoscale Simulation Tools
Nanoscale Simulation Lab - Research Details
nanoHUB.org - Resources: Nanoscale MOSFETs: Physics, Simulation and Design

Mesoscale Simulations

Soft Condensed Matter Simulation Group
Mesoscale systems simulation
The Computational Chemistry Group
Mesoscale Dyanmics and Modeling Group
Modelling and Theory of Interfaces (Argonne)
UCL Chemistry - Academic Staff - Prof Peter Coveney
Cotton Research Group Current Projects
Glotzer Group
Modeling Mechanical Behavior of Amorphous Metals

Macroscale Simulations

Meso- to Macro-Scale Environmental Modeling
Multiscale Simulation Group

Materials and Process Simulation Center Home Page

ResearcherID.com

Multiscale Simulations

Atomistic to continuum methods
A Database of Inserted Membrane Proteins.
Lipid downloads
GBB - University of Groningen
Tina Düren 's chemical engineering @ edinburgh web pages
Laboratory of Theory of Biopolymers
Multiscale Dynamic Materials Modeling Dept
Theory and Computation of Advanced Materials
NANOMESO-Home
RSS21 Revolutionary Simulation Software>Themes of the Multi-physics multi-scale simulation
System for Function Analysis of Nanomaterials
Computational Materials Science Center
Institut für Numerische Simulation
EnginSoft - Multiscale modeling of composite materials and Structures with DIGIMAT & ANSYS
Particle Simulation and Thermodynamics Group
Center for Theoretical and Computational Materials Science
Modeling and simulation within material science
RMIT - Materials Modelling and Simulation
The Modelling and Simulation Group
IBM Research - Zurich
Scientific, technical & HPC applications
HPCx - Computational Material Science
Physical Organic and Computational Chemistry, Bg
Physical Organic & Computational Chemistry

HPC Main Partners

Prof. N. Tapus and Prof. V. Cristea

Faculty of Automatic Control and Computers

University Polytechnic of Bucharest, Romania

Dr. P. Palade

National Institute of Materials Physics

Magurele, Romania

Prof. S.-H. Suh

Keimyung University

Daegu, Korea

Ass.Prof. V. Alexiev

Institute of Catalysis

 Bulgarian Academy of Sciences

Sofia, Bulgaria

News

 

    Investigated Systems

  • Molecules
  • Nanosystems
  • Crystals
  • Surfaces
  • Liquids

 

    Simulation Groups

  • Atomic Scale

  • Nanoscale

  • Mesoscale

  • Macroscale

  • Multiscale 

  

Some HPC Centers

 

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  Last modified: September 12 2009 12:14:48.
Institute of Physical Chemistry “Ilie Murgulescu” | Romanian Academy | 202, Splaiul Independentei | 060021, Bucharest | Romania