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2009, ISBN 9780521898638, Volume 9780521898638, x, 567
Ab initio molecular dynamics revolutionized the field of realistic computer simulation of complex molecular systems and processes, including chemical reactions, by unifying molecular dynamics... 
Computer simulation | Molecular dynamics | Molecular dynamics - Computer simulation
Book
2009, 4th ed., ISBN 9048130743, xviii, 483
This is the 4th edition of the highly acclaimed monograph on Extended Irreversible Thermodynamics, a theory that goes beyond the classical theory of irreversible processes... 
Irreversible processes | Nonequilibrium thermodynamics
Book
2015, Series in computational physics, ISBN 9781466561571, xxvi, 453
...: From Quantum to Coarse-Grained Methods presents modern biomolecular computational techniques that address protein flexibility/dynamics at all levels of theory... 
Proteins | chemistry | Biophysical Phenomena | methods | Intrinsically Disordered Proteins | Computational Biology | Protein Conformation | Molecular Dynamics Simulation | Conformation | Computational and Theoretical Chemistry | Computational Physics | Biophysics | Protein engineering
Book
2006, 1st ed., Wiley Series in Theoretical Chemistry, ISBN 9780470863329, 382
The subject of this book -- intermolecular interactions -- is as important in physics as in chemistry and molecular biology. Intermolecular interactions are... 
Intermolecular forces | Molecular dynamics | Chemistry | SCIENCE | Physical & Theoretical
eBook
International journal for numerical methods in engineering, ISSN 0029-5981, 10/2016, Volume 108, Issue 3, pp. 233 - 251
Summary Smoothed molecular dynamics (SMD) method is a recently proposed efficient molecular simulation method by introducing one set of background mesh and mapping process into molecular dynamics (MD) flow chart... 
seamless transition | adaptive coupling | smoothed molecular dynamics | molecular dynamics | multiple time step | Mathematics, Interdisciplinary Applications | Engineering | Physical Sciences | Technology | Engineering, Multidisciplinary | Mathematics | Science & Technology | Molecular dynamics | Wave propagation | Chemical properties | Analysis | Methods | Coupling (molecular) | Accuracy | Computer simulation | Mathematical models | Criteria | Displacement | Wave reflection
Journal Article
2007, ISBN 9780521835275, Volume 9780521835275, xxvii, 596
.... From quantum mechanics to fluid dynamics, this book systematically treats the broad scope of computer modeling and simulations, describing the fundamental theory behind each level of approximation... 
Physics | Simulation methods | Physics - Simulation methods
Book
2006, ISBN 0691118434, Volume 9781400840960, xxiii, 329
From controlling disease outbreaks to predicting heart attacks, dynamic models are increasingly crucial for understanding biological processes... 
Biology | Mathematical models | Biology-Mathematical models
Book
2010, 4. Aufl., ISBN 9783527325290, xiii, 254
Closing a gap in the literature, this is the first comprehensive handbook on this modern and important polymer topic. Edited by highly experienced and top... 
Molecular dynamics | Polymerization | Nonlinear theories | Polymers
Book
Computational materials science, ISSN 0927-0256, 04/2015, Volume 100, Issue PB, pp. 90 - 103
Journal Article
Chemical Society reviews, ISSN 1460-4744, 2017, Volume 46, Issue 8, pp. 2158 - 2198
Journal Article