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Year of publication
Subject
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Molecular dynamics 57 Molecular dynamics simulation 10 02.70.Ns Molecular dynamics and particle methods 6 molecular dynamics 6 Molecular Dynamics 4 31.15.Qg Molecular dynamics and other numerical methods 3 Diffusion 3 Lennard-Jones particle system 3 Lennard–Jones 3 Non-equilibrium molecular dynamics 3 1D lattice 2 61.80.Jh Ion radiation effects 2 65.80.+n Thermal properties of small particles 2 71.15.Mb Density functional theory 2 71.15.Pd Molecular dynamics calculations 2 Brownian dynamics 2 Energy localization 2 Gas–liquid flow 2 Go model 2 Impurity 2 Molecular dynamics simulations 2 Monte Carlo 2 Relaxation 2 Supercooled liquid 2 and nanotubes 2 gradient and other corrections 2 hydrate 2 local density approximation 2 nanocrystals 2 05.20.Dd Kinetic theory 1 05.20.Jj Statistical mechanics of classical fluids 1 05.40.-a Fluctuation phenomena 1 05.45.Jn High-dimensional chaos 1 05.45.Pq Numerical simulations of chaotic systems 1 05.90.+m Other topics in statistical physics 1 25.75.Nq Quark deconfinement 1 31.15.xv Molecular dynamics and other numerical methods 1 34.20.Cf Interatomic potentials and forces 1 36.40.Wa Charged clusters 1 46.50.+a Fracture mechanics 1
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Online availability
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Undetermined 98 Free 3
Type of publication
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Article 101 Book / Working Paper 1
Language
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Undetermined 99 English 3
Author
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English, Niall J. 4 Appignanesi, G.A. 3 Cieplak, Marek 3 Frechero, M.A. 3 Inaoka, Hajime 3 Ito, Nobuyasu 3 Jin, Zhun-Zhi 3 Zhong, Z.W. 3 Zou, Xian-Wu 3 Alarcón, L.M. 2 Bertolus, M. 2 Defranceschi, M. 2 Hess, Siegfried 2 Huang, Sheng-You 2 Lim, M.C.G. 2 Lu, C. 2 Montani, R.A. 2 Okumura, Hisashi 2 Ribeiro, F. 2 Yukawa, Satoshi 2 ZHAO, YA-PU 2 Zaoui, A. 2 Zhang, Wen-Bing 2 Abbaspour, Mohsen 1 Alder, B. 1 Allen, Michael P. 1 Amor, Daniel R. 1 Anh, Vo 1 Asinari, Pietro 1 Azimian, A.R. 1 Bagnoli, Franco 1 Bandow, Bernhard 1 Baras, F. 1 Barber, J. 1 Barbieri, A 1 Barbosa, Marcia C. 1 Barros de Oliveira, Alan 1 Bavanar, Jayanth R. 1 Bedeaux, D. 1 Bellesia, Giovanni 1
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Institution
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Santa Fe Institute 1
Published in...
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Physica A: Statistical Mechanics and its Applications 71 The European Physical Journal B - Condensed Matter and Complex Systems 14 Surface Review and Letters (SRL) 5 Energies 3 Energy 2 Applied Energy 1 International Journal of Green Computing (IJGC) 1 International Journal of Manufacturing, Materials, and Mechanical Engineering (IJMMME) 1 Journal of Nanotoxicology and Nanomedicine (JNN) 1 Mathematics and Computers in Simulation (MATCOM) 1 Natural Hazards 1 Working Papers / Santa Fe Institute 1
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Source
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RePEc 99 Other ZBW resources 3
Showing 1 - 10 of 102
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A Computational Study of the Combustion of Hydrazine with Dinitrogen Tetroxide
Hogoboom, Dane; Han, Yulun; Kilin, Dmitri - In: Journal of Nanotoxicology and Nanomedicine (JNN) 2 (2017) 2, pp. 12-30
In this article, density functional theory (DFT) based on ab initio molecular dynamics (AIMD) is used to study the …
Persistent link: https://www.econbiz.de/10012049194
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Massively-Parallel Molecular Dynamics Simulation of Clathrate Hydrates on Blue Gene Platforms
English, Niall J. - In: Energies 6 (2013) 6, pp. 3072-3081
Massively-parallel classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the …
Persistent link: https://www.econbiz.de/10011031213
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Ecological Impact of Green Computing Using Graphical Processing Units in Molecular Dynamics Simulations
Marquetti, Izabele; Rodrigues, Jhonatam; Desai, Salil S. - In: International Journal of Green Computing (IJGC) 9 (2018) 1, pp. 35-48
Molecular dynamics (MD) models require comprehensive computational power to simulate nanoscale phenomena. Traditionally …-performance molecular dynamics simulations. …
Persistent link: https://www.econbiz.de/10012044941
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Molecular Dynamics Simulations of Clathrate Hydrates on Specialised Hardware Platforms
Varini, Nicola; English, Niall J.; Trott, Christian R. - In: Energies 5 (2012) 9, pp. 3526-3533
Classical equilibrium molecular dynamics (MD) simulations have been performed to investigate the computational …
Persistent link: https://www.econbiz.de/10010675990
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Cutting Speed in Nano-Cutting as MD Modelling Parameter
Markopoulos, Angelos P.; Manolakos, Dimitrios E.; … - In: International Journal of Manufacturing, Materials, and … 6 (2016) 1, pp. 1-13
sufficient. Molecular Dynamics is a method increasingly used for the simulation of nano-cutting. However, the computational cost …
Persistent link: https://www.econbiz.de/10012046618
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Perspectives on Hydrate Thermal Conductivity
English, Niall J.; Tse, John S. - In: Energies 3 (2010) 12, pp. 1934-1942
In this review, the intriguing, anomalous behaviour of hydrate thermal conductivity will be described, and progress in performing experimental measurements will be described briefly. However particular attention shall be devoted to recent advances in the development of detailed theoretical...
Persistent link: https://www.econbiz.de/10010676071
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Molecular dynamics study of an electro-kinetic fluid transport in a charged nanochannel based on the role of the stern layer
Rezaei, M.; Azimian, A.R.; Toghraie, D. - In: Physica A: Statistical Mechanics and its Applications 426 (2015) C, pp. 25-34
Electro-osmotic flow of an aqueous solution of NaCl has been studied using the molecular dynamics simulation. The main …
Persistent link: https://www.econbiz.de/10011209726
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ANISOTROPY DIFFUSION DYNAMICS BEHAVIORS ON Pd(110) SURFACES: A MOLECULAR DYNAMICS STUDY
LIU, FUSHENG; WANG, YUFEI; HU, WANGYU; WANG, TENG; … - In: Surface Review and Letters (SRL) 22 (2015) 01, pp. 1550013-1
Using modified analytic embedded atom method and molecular dynamics (MDs) simulation, the self-diffusion dynamics …
Persistent link: https://www.econbiz.de/10011279095
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The notion of energy through multiple scales: From a molecular level to fluid flows and beyond
Asinari, Pietro; Chiavazzo, Eliodoro - In: Energy 68 (2014) C, pp. 870-876
In the present paper, we review the consistent definition of macroscopic total energy in classical fluid mechanics, as a function of the microscopic canonical Hamiltonian field, based on a Lennard-Jones model with some spatially varying external field. The macroscopic total energy (sum of...
Persistent link: https://www.econbiz.de/10010809013
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Extended many-body potential of Hauschild and Prausnitz for pure HFD-like fluids
Abbaspour, Mohsen; Naderkhovy, Nasrin - In: Physica A: Statistical Mechanics and its Applications 413 (2014) C, pp. 459-472
many-body potential with the accurate three-body potentials in the literature, we have performed molecular dynamics …
Persistent link: https://www.econbiz.de/10010906991
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