Molecular dynamics

Results: 1160



#Item
311Molecular modelling / Technical University of Dortmund / University of Tübingen / Dresden University of Technology / E-Science / Science / Academia / Technology / Cyberinfrastructure / Computational chemistry / Molecular dynamics

Packschies et al. Journal of Cheminformatics 2013, 5(Suppl 1):O3 http://www.jcheminf.com/content/5/S1/O3 ORAL PRESENTATION Open Access

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Source URL: www.jcheminf.com

Language: English
312Chemical engineering / Van der Waals equation / Gas / Equation of state / Molecular dynamics / Johannes Diderik van der Waals / Condensation / Magnetohydrodynamics / Maxwell construction / Physics / Fluid dynamics / Fluid mechanics

A three dimensional smooth particle hydrodynamics model of the nanoscale condensation of water

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Source URL: www.mssanz.org.au

Language: English - Date: 2013-01-15 22:37:04
313Data analysis / Data mining / Geostatistics / Distance / Consensus clustering / Statistics / Graph theory / Cluster analysis

CCCG 2011, Toronto ON, August 10–12, 2011 Kinetically-aware Conformational Distances in Molecular Dynamics Chen Gu∗ Xiaoye Jiang†

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Source URL: 2011.cccg.ca

Language: English - Date: 2011-08-06 04:11:16
314Molecular modelling / Dynamical systems / Structural analysis / Computational chemistry / Molecular dynamics / Hamiltonian mechanics / Buckling / Physics / Chemistry / Mechanics

CURRICULUM VITÆ John Henry Maddocks Born January 7, 1958. Citizen of the United Kingdom.

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Source URL: lcvmwww.epfl.ch

Language: English - Date: 2013-10-25 10:36:50
315Ab initio quantum chemistry methods / Molecular modelling / Semi-empirical quantum chemistry method / Coupled cluster / MNDO / Ab initio / Hypervalent molecule / Molecular dynamics / Density functional theory / Chemistry / Computational chemistry / Theoretical chemistry

Microsoft Word - bericht 2007_teil1.doc

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Source URL: www.kofo.mpg.de

Language: English - Date: 2014-11-10 05:44:33
316Molecular modelling / Molecular dynamics / Force field / Water model / Crystal / Chemistry / Computational chemistry / Science

http://oasys.acs.org/acs/238nm/comp/staff/program.cgi?passwo... COMP DIVISION OF COMPUTERS IN CHEMISTRY Final Program, 238th ACS National Meeting, Washington, DC, August 16-20, 2009

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Source URL: oldwww.acscomp.org

Language: English - Date: 2011-07-01 06:30:49
317Partial differential equations / Differential equations / Stochastic processes / Weinan E / Molecular dynamics / Navier–Stokes equations / Multigrid method / Multiscale modeling / Patch dynamics / Calculus / Mathematics / Mathematical analysis

Multiscale Modeling and Computation Weinan E and Bjorn Engquist M

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Source URL: croucher.math.ust.hk

Language: English - Date: 2005-05-02 21:37:15
318Atomic physics / Physical chemistry / Molecular physics / Materials science / Quantum chemistry / Electron / Auger effect / Photoelectrochemical processes / Spectroscopy / Chemistry / Physics / Science

Highlights 1. Atomic and Molecular Science 1-1. Dynamics of Two Auger Electron Emission in Xe 4d Photoionization [1] The creation of an inner-shell hole in an atom or molecule is usually followed by the emission of an

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Source URL: pfwww.kek.jp

Language: English - Date: 2010-01-05 10:14:09
319Fluid mechanics / Aerodynamics / Navier–Stokes equations / Couette flow / Viscosity / No-slip condition / Stress / Physics / Mechanics / Fluid dynamics

PHYSICAL REVIEW E 68, 016306 共2003兲 Molecular scale contact line hydrodynamics of immiscible flows Tiezheng Qian Department of Physics and Institute of Nano Science and Technology, The Hong Kong University of Scienc

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Source URL: www.math.ust.hk

Language: English - Date: 2003-09-16 09:03:25
320Bosons / Phase transitions / Computational chemistry / Molecular dynamics / Molecular modelling / Crystal structure / Phonon / Periodic boundary conditions / Ice / Chemistry / Physics / Condensed matter physics

Supporting Material for: Superionicity and Polymorphism in Calcium Fluoride at High Pressure Claudio Cazorla∗ School of Materials Science and Engineering, University of New South Wales, Sydney NSW 2052, Australia Danie

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Source URL: www.claudiocazorla.com

Language: English - Date: 2014-12-05 05:57:57
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