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Molecular dynamics
Results: 1160

#	Item
981	Long-timescale simulations of diffusion in molecular solids L.J. Karssemeijer,a A. Pedersen,b H. J´onsson,b and H.M. Cuppen∗a Received Xth XXXXXXXXXX 20XX, Accepted Xth XXXXXXXXX 20XX First published on the web Xth XX Add to Reading List Source URL: www.theochem.ru.nl Language: English - Date: 2013-11-11 10:55:58 Materials science Kinetic Monte Carlo Molecular dynamics Surface diffusion Molecular diffusion Adsorption Abiogenesis Kinetic Monte Carlo surface growth method Chemistry Physical chemistry Surface chemistry
982	Program at a glance Time 8:00 Sunday 14 October Add to Reading List Source URL: phycomp.technion.ac.il Language: English - Date: 2012-10-13 00:18:30 Computational science Monte Carlo method Numerical analysis Probabilistic complexity theory Nichii Gakkan Molecular dynamics Computational particle physics Quantum Monte Carlo Lattice QCD Physics Science Mathematics
983	Large-Scale Hydrodynamic Brownian Simulations on Multicore and Manycore Architectures Xing Liu Edmond Chow Add to Reading List Source URL: www.cc.gatech.edu Language: English - Date: 2014-02-15 13:36:19 Computational physics Computational chemistry Linear algebra Abstract algebra Fourier analysis Ewald summation Molecular dynamics Matrix Fast Fourier transform Algebra Mathematics Mathematical analysis
984	Physics Procedia Physics Procedia[removed]–5 The role of projects in (Computational) Physics Education David Mazvovskyc , Guy Haliouab , Joan Adlera a Physics Add to Reading List Source URL: phjoan23.technion.ac.il Language: English - Date: 2012-05-01 22:56:25 Simulation Computer simulation Physics Computational physics Molecular dynamics Mathematics Science Computational science Operations research
985	Simulation and visualization of ion-implantation in diamond Joan Adler, Amihai Silverman, Niv Ierushalmi, Anastassia Sorkin and Rafi Kalish Technion - IIT, Haifa, Israel, 32000 E-mail: [removed] Add to Reading List Source URL: phjoan5.technion.ac.il Language: English - Date: 2013-09-22 03:01:50 Carbon Crystallographic defects Native element minerals Abrasives Diamond Molecular dynamics Ion implantation Interstitial defect Crystal Chemistry Matter Superhard materials
986	Summer School on Computational Materials Science Lecture Notes: Ab Initio Molecular Dynamics Simulation Methods in Chemistry Victor S. Batista∗ Yale University, Department of Chemistry, P.O.Box[removed], New Haven, Conne Add to Reading List Source URL: www.chem.yale.edu Language: English - Date: 2014-01-26 09:05:45 Partial differential equations Fourier analysis Uniform polyhedra Equations Schrödinger equation Μ operator Wave packet Fourier transform Truncated dodecahedron Mathematical analysis Physics Quantum mechanics
987	Monte Carlo Calculations of the Free Energy of Binary SII Hydrogen Clathrate Hydrates for Identifying Efficient Promoter Molecules Alexander A. Atamas,1 , Herma M. Cuppen1, Marina V. Koudriachova2 and Simon W. de Leeuw3 Add to Reading List Source URL: www.theochem.ru.nl Language: English* - Date: 2013-11-11 11:09:41 Intermolecular forces Ice Methane clathrate Clathrate compound Hydrate Hydrogen clathrate Hydrogen storage Molecular dynamics Properties of water Chemistry Clathrate hydrates Molecular modelling
988	1 Antisymmetrized molecular dynamics and its applications to cluster phenomena Yoshiko Kanada-En’yo1 , Masaaki Kimura2 , and Akira Ono3 1 Department Add to Reading List Source URL: arxiv.org Language: English - Date: 2012-02-09 20:25:25 Computational chemistry Theoretical chemistry Quantum mechanics Nuclear structure Advanced Micro Devices Nuclear force Wave Spin Nucleon Physics Nuclear physics Quantum chemistry
989	Molecular Dynamics Saddle Search Adaptive Kinetic Monte Carlo Samuel T. Chill and Graeme Henkelman Department of Chemistry and the Institute for Computational Engineering and Sciences, The University of Texas at Austin, Add to Reading List Source URL: theory.cm.utexas.edu Language: English - Date: 2014-05-08 00:47:46 Physics Heat transfer Temperature Thermodynamics
990	EON: Software for long time simulations of atomic scale systems Add to Reading List Source URL: theory.cm.utexas.edu Language: English - Date: 2014-05-16 22:47:58 Molecular modelling Science Molecular dynamics Eon LAMMPS Server Client-side Computer cluster Kinetic Monte Carlo Computing Concurrent computing Computational chemistry

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