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Obtenir le résultat Understanding Molecular Simulation: From Algorithms to Applications Livre audio par Frenkel Daan

Understanding Molecular Simulation: From Algorithms to Applications
TitreUnderstanding Molecular Simulation: From Algorithms to Applications
ClasseDolby 192 kHz
Publié2 years 4 months 26 days ago
Temps46 min 51 seconds
Taille1,336 KiloByte
Nom de fichierunderstanding-molecu_Huynh.pdf
understanding-molecu_KYBNP.mp3
Nombre de pages180 Pages

Understanding Molecular Simulation: From Algorithms to Applications

Catégorie: Sciences humaines, Droit
Auteur: Frenkel Daan, Smit Berend
Éditeur: Mystery, Jenny Colgan
Publié: 2019-01-01
Écrivain: Véronique Dreyfus, Samantha Power
Langue: Espagnol, Persan, Hébreu, Sanskrit
Format: Livre audio, eBook Kindle
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Understanding Molecular Simulation - Daan Frenkel , Berend Smit - Librairie Eyrolles - Understanding Molecular Simulation: From Algorithms to Applications explains the physics behind the "recipes" of molecular simulation for materials science. Computer simulators are continuously confronted with questions concerning the choice of a particular
Understanding molecular simulation : from algorithms to applications / Daan Frenkel,... Berend Smit,... - Université de Poitiers - Understanding molecular simulation : from algorithms to applications / Daan Frenkel,... Berend Smit,...-book
R. Al, Z. M. Seyedeh, M. Soghra, . N. Ahmad, Y. Li et al., World ... - ... Understanding Molecular Simulation from Algorithms to Applications, J. Phys. Chem. B. J. Computer Simulation of Liquids Delhommelle, J, vol.112, issue.99, ...
- Understanding Molecular Simulation: From Algorithms to Applications - Frenkel, Daan, Smit, Berend - Livres - Understanding Molecular Simulation: From Algorithms to Applications
COSMOS workshop | École des Ponts ParisTech - COmputational Statistics and MOlecular Simulation (Paris, 2-5 February 2016) ... Grant MSMath "Molecular Simulation: modeling, algorithms and mathematical ...
Adaptive algorithms for molecular simulation - 19 Jul 2013 ... Molecular simulations have become an essential tool in biology, chemistry and ... Understanding molecular simulation: from algorithms to ap-.
Videos & books LibraryDocuments : An introduction to ... - CIRM - Frenkel, D. and Smit, B. Understanding Molecular Simulation: from Algorithms to Applications. ... Rapaport, The Art of Molecular Dynamics Simulations.
PhD Position F/M [Campagne CORDI-S] - MATHERIALS team - Offre d'emploi Inria
A New Perspective on the Order-n Algorithm for Computing Correlation Functions - A method to measure correlations is presented that can be shown to be identical to the original 'order-n algorithm' from Frenkel and Smit (Understanding Molecular Simulation, Academic Press, 2002). In contrast to their work, we present the algorithm without the use of 'block sums of velocities'. We show that the algorithm gives identical results compared to standard correlation methods for the time points at which the correlation is computed. We apply the algorithm to compute diffusion of methane and benzene in the metal-organic framework IRMOF-1 and focus on the computation of the mean-squared displacement, the velocity autocorrelation function, and the angular velocity autocorrelation function. Other correlation functions can readily be computed using the same algorithm. The savings in computer time and memory result from a reduction of the number of time points, as they can be chosen non-uniformly. In addition, the algorithm is significantly easier to implement than standard methods. Source code for the al
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