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Molecular simulation of complex systems using massively parallel supercomputers

Author
CUMMINGS, P. T1 2
[1] Department of Chemical Engineering, University of Tennessee, 419 Dougherty Engineering Building, Knoxville, TN 37996-2200, United States
[2] Chemical Technology Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6181, United States
Conference title
MTMS '97 International Symposium on Molecular Thermodynamics and Molecular Simulation
Conference name
MTMS '97 International Symposium on Molecular Thermodynamics and Molecular Simulation (2 ; Tokyo 1997-01-12)
Author (monograph)
NISHIUMI, Hideo (Editor)1
[1] Hosei Univ., Tokyo, Japan
Source

Fluid phase equilibria. 1998, Vol 144, Num 1-2, pp 331-342 ; ref : 40 ref

CODEN
FPEQDT
ISSN
0378-3812
Scientific domain
General chemistry, physical chemistry
Publisher
Elsevier Science, Amsterdam
Publication country
Netherlands
Document type
Conference Paper
Language
English
Keyword (fr)
Application Assistance ordinateur Dynamique moléculaire Etude théorique Lubrifiant Mélange polymère Méthode Monte Carlo Potentiel intermoléculaire Propriété thermodynamique Rhéologie Solution aqueuse Solution électrolyte Solvant supercritique Superordinateur
Keyword (en)
Application Computer aid Molecular dynamics Theoretical study Lubricants Polymer blends Monte Carlo methods Intermolecular potential Thermodynamic properties Rheology Aqueous solutions Electrolyte solution Supercritical solvent Supercomputers
Keyword (es)
Aplicación Asistencia ordenador Dinámica molecular Potencial intermolecular Solución electrólito Disolvente supercrítico
Classification
Pascal
001 Exact sciences and technology / 001B Physics / 001B30 Atomic and molecular physics / 001B30A Electronic structure of atoms, molecules and their ions: theory / 001B30A70 Effects of atomic and molecular interactions on electronic structure / 001B30A70D Environmental and solvent effects

Pascal
001 Exact sciences and technology / 001B Physics / 001B80 Cross-disciplinary physics: materials science; rheology / 001B80C Rheology / 001B80C20 Constitutive relations / 001B80C20J Computer simulation

Pacs
3170D Environmental and solvent effects

Discipline
Atomic and molecular physics Physics of condensed state : structure, mechanical and thermal properties
Origin
Inist-CNRS
Database
PASCAL
INIST identifier
2311654

Sauf mention contraire ci-dessus, le contenu de cette notice bibliographique peut être utilisé dans le cadre d’une licence CC BY 4.0 Inist-CNRS / Unless otherwise stated above, the content of this bibliographic record may be used under a CC BY 4.0 licence by Inist-CNRS / A menos que se haya señalado antes, el contenido de este registro bibliográfico puede ser utilizado al amparo de una licencia CC BY 4.0 Inist-CNRS

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