Molecular Dynamics: With Deterministic and Stochastic Numerical Methods - Couverture rigide

Livre 36 sur 52: Interdisciplinary Applied Mathematics

Leimkuhler, Ben; Matthews, Charles

 
9783319163741: Molecular Dynamics: With Deterministic and Stochastic Numerical Methods

Synopsis

1.Introduction.- 2.Numerical Integrators.- 3.Analyzing Geometric Integrators.- 4.The Stability Threshold.- 5.Phase Space Distributions and Microcanonical Averages.- 6. The Canonical Distribution and Stochastic Differential Equations.- 7. Numerical Methods for Stochastic Molecular Dynamics.- 8. Extended Variable Methods.- References.- Index.

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À propos de l?auteur

Benedict Leimkuhler has worked extensively for more than two decades on the study of molecular dynamics algorithms. He is the author of research publications on constrained molecular dynamics, temperature controls, stochastic molecular dynamics methods, quantum methods, and advanced integration strategies (multiple time-stepping, adaptive methods). He currently holds the Chair of Applied Mathematics at the University of Edinburgh, is a Fellow of the Royal Society of Edinburgh and a Fellow of the Institute of Mathematics and Its Applications, and is on the editorial boards of four journals.

Charles Matthews obtained his PhD in applied mathematics from the University of Edinburgh, working in the area of numerical methods for stochastic differential equations. He has published research in both chemical physics and mathematics journals on discretization problems in molecular dynamics. He currently is a research staff member in the Department of Statistics at the University of Chicago, investigating sampling methodologies for molecular simulation and the modelling of power networks.

Les informations fournies dans la section « A propos du livre » peuvent faire référence à une autre édition de ce titre.

Autres éditions populaires du même titre

9783319353241: Molecular Dynamics: With Deterministic and Stochastic Numerical Methods

Edition présentée

ISBN 10 :  3319353241 ISBN 13 :  9783319353241
Editeur : Springer, 2016
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