Molecular dynamics

Results: 1160



#Item
941Computational chemistry / Molecular modelling / Operations research / Simulation / GROMACS / Biomedical scientist / Molecular dynamics / CHARMM / Physics Abstraction Layer / Science / Chemistry / Medicine

National Center for Simulation of Physics-Based Simulation of Biological Structures

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Source URL: commonfund.nih.gov

Language: English - Date: 2014-04-28 15:04:38
942Computational physics / Theoretical chemistry / Ab initio / Molecular dynamics / ACES / PSI / Crystal / EXC code / Chemistry / Science / Computational chemistry

Curriculum Vitae December[removed]Personal Data

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Source URL: www.mcl.at

Language: English - Date: 2013-01-27 12:05:24
943Science / SIESTA / Electronic band structure / Hybrid functional / Ab initio / Molecular dynamics / CP2K / CONQUEST / PSI / Density functional theory / Physics / Chemistry

Research Networking Programme Advanced Concepts in ab-initio Simulations of Materials (Psi-k2) Standing Committee for Physical and Engineering Sciences (PESC)

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Source URL: www.esf.org

Language: English - Date: 2012-02-08 05:18:35
944Quantum chemistry / Computational chemistry / Ionization energy / Molecular orbital theory / Molecular orbital / Molecular dynamics / Atomic orbital / Schrödinger equation / Molecular vibration / Chemistry / Physics / Science

XI Contents Foreword VII Acknowledgments

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Source URL: www.wiley-vch.de

Language: English - Date: 2009-09-24 21:03:58
945Computational chemistry / Molecular physics / Molecular orbital / Ionization energy / Molecule / Linear combination of atomic orbitals / Chemical bond / Molecular dynamics / Chemist / Chemistry / Theoretical chemistry / Quantum chemistry

PDF Document

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Source URL: www.wiley-vch.de

Language: English - Date: 2009-09-24 21:03:58
946Aerodynamics / Transport phenomena / Convection / Piping / Turbulent diffusion / Turbulence / Advection / Laminar flow / Molecular diffusion / Fluid dynamics / Fluid mechanics / Dynamics

Contaminant dispersion Jüri Elken elken@phys.sea.ee

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Source URL: msi.ttu.ee

Language: English - Date: 2005-06-28 11:34:53
947Molecular modelling / Engineering / Ethics / Philosophy of science / Systems modeling / Modeling and simulation / Simulation / Molecular dynamics / Hydrology / Science / Technology / Knowledge

Microsoft Word - Exhibitor_RDV_Carnot_2014_EN_SANS FD.doc

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Source URL: rdv-carnot.com

Language: English - Date: 2014-06-26 08:19:15
948Discrete element method / Leapfrog integration / Contact dynamics / Harmonic oscillator / Friction / Duffing equation / Damping / Molecular dynamics / Van der Pol oscillator / Physics / Ordinary differential equations / Mathematical analysis

i i “Matuttis-Driv-1” — [removed] — 14:47 — page 451 — #1 i

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Source URL: media.wiley.com

Language: English - Date: 2014-03-27 07:15:50
949University of Modena and Reggio Emilia / University of Rome Tor Vergata / Reggio / Consorzio ICoN / Molecular dynamics / Universities of Rome / Modena / Europe / Italy / 2nd millennium / Province of Reggio Emilia

RESULTS PUBBLICI A&B_thirdcall_ISCRA V9.xls

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Source URL: www.hpc.cineca.it

Language: English - Date: 2012-08-23 06:23:59
950University of Trieste / Science / Computational chemistry / Molecular dynamics / Molecular modelling

RESULTS PUBBLICI A&B_secondcall_ISCRA v1.xls

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Source URL: www.hpc.cineca.it

Language: English - Date: 2012-08-23 06:23:54
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