(Ilmumisaeg: 27-Mar-2024, PDF+DRM, Kirjastus: Taylor & Francis Ltd, ISBN-13: 9781003859369)
The book focuses on the correlation of mechanical behavior with structural evaluation and the underlying mechanisms through molecular dynamics (MD) techniques using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It p...Loe edasi...
(Ilmumisaeg: 27-Mar-2024, EPUB+DRM, Kirjastus: Taylor & Francis Ltd, ISBN-13: 9781003859413)
The book focuses on the correlation of mechanical behavior with structural evaluation and the underlying mechanisms through molecular dynamics (MD) techniques using the Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It p...Loe edasi...
(Ilmumisaeg: 29-Mar-2022, EPUB+DRM, Kirjastus: John Wiley & Sons Inc, ISBN-13: 9781118940242)
A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundame...Loe edasi...
(Ilmumisaeg: 28-Mar-2022, PDF+DRM, Kirjastus: John Wiley & Sons Inc, ISBN-13: 9781118940235)
A complete reference to computer simulations of inorganic glass materials In Atomistic Simulations of Glasses: Fundamentals and Applications, a team of distinguished researchers and active practitioners delivers a comprehensive review of the fundame...Loe edasi...
(Ilmumisaeg: 18-May-2021, PDF+DRM, Kirjastus: Nova Science Publishers Inc, ISBN-13: 9781536197341)
This work presents three chapters, each of which detail a recent advancement in the field of molecular dynamics simulations research. Chapter One describes the molecular dynamics method to simulate the transport processes in nanofluids and the molecu...Loe edasi...
(Ilmumisaeg: 14-Feb-2020, PDF+DRM, Kirjastus: Nova Science Publishers Inc, ISBN-13: 9781536174090)
This book will be beneficial for students, researchers and scientists working in the field of molecular dynamics simulation. In this book, Materials Studio software developed by Accelrys, a software company headquartered in the United States, has bee...Loe edasi...
(Ilmumisaeg: 13-Mar-2018, PDF+DRM, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789813232549)
This book aims to provide an example-based education in numerical methods for atomistic and continuum simulations of systems at and away from equilibrium. The focus is on nonequilibrium systems, stressing the use of tools from dynamical systems theor...Loe edasi...
(Ilmumisaeg: 13-Mar-2018, EPUB+DRM, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789813232549)
This book aims to provide an example-based education in numerical methods for atomistic and continuum simulations of systems at and away from equilibrium. The focus is on nonequilibrium systems, stressing the use of tools from dynamical systems theor...Loe edasi...
Sari: Peking University-world Scientific Advanced Physics Series
(Ilmumisaeg: 18-Jan-2018, PDF+DRM, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789813230460)
This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, man...Loe edasi...
Sari: Peking University-world Scientific Advanced Physics Series
(Ilmumisaeg: 18-Jan-2018, EPUB+DRM, Kirjastus: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789813230460)
This book provides a relatively complete introduction to the methods used in computational condensed matter. A wide range of electronic structure theories are introduced, including traditional quantum chemistry methods, density functional theory, man...Loe edasi...
Alexander Heinecke, Wolfgang Eckhardt, Martin Horsch, Hans-Joachim Bungartz
Sari: SpringerBriefs in Computer Science
(Ilmumisaeg: 30-Mar-2015, PDF+DRM, Kirjastus: Springer International Publishing AG, ISBN-13: 9783319171487)
This work presents modern implementations of relevant molecular dynamics algorithms using ls1 mardyn, a simulation program for engineering applications. The text focuses strictly on HPC-related aspects, covering implementation on HPC architectures, t...Loe edasi...
(Ilmumisaeg: 01-Jul-2013, PDF+DRM, Kirjastus: Nova Science Publishers Inc, ISBN-13: 9781628080551)
This book provides an overview on different aspects of materials science and biological research. It outlines the current state and prospects of computer molecular simulation studies covering a broad spectrum of problems in modern physics, biochemist...Loe edasi...
(Ilmumisaeg: 31-Jul-2012, PDF+DRM, Kirjastus: Springer-Verlag Berlin and Heidelberg GmbH & Co. KG, ISBN-13: 9783642286193)
Materials sciences relate the macroscopic properties of materials to their microscopic structure and postulate the need for holistic multiscale research. The investigation of shape memory alloys is a prime example in this regard. This particular clas...Loe edasi...
(Ilmumisaeg: 28-Sep-2009, EPUB+DRM, Kirjastus: Taylor & Francis Inc, ISBN-13: 9781040208885)
Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Ener...Loe edasi...
(Ilmumisaeg: 28-Sep-2009, PDF+DRM, Kirjastus: Taylor & Francis Inc, ISBN-13: 9781420087048)
Computational modeling can provide a wealth of insight into how energy flow in proteins mediates protein function. Computational methods can also address fundamental questions related to molecular signaling and energy flow in proteins. Proteins: Ener...Loe edasi...
(Ilmumisaeg: 22-Sep-2008, EPUB+DRM, Kirjastus: Taylor & Francis Inc, ISBN-13: 9781040205518)
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simu...Loe edasi...
(Ilmumisaeg: 22-Sep-2008, PDF+DRM, Kirjastus: Taylor & Francis Inc, ISBN-13: 9781420059564)
Exploring recent developments in the field, Coarse-Graining of Condensed Phase and Biomolecular Systems examines systematic ways of constructing coarse-grained representations for complex systems. It explains how this approach can be used in the simu...Loe edasi...
Sari: International Union of Crystallography Monographs on Crystallography
(Ilmumisaeg: 30-Nov-2006, PDF+DRM, Kirjastus: Oxford University Press, ISBN-13: 9780191524776)
This book is divided in two parts. Part I provides a brief but accurate summary of all the basic ideas, theories, methods, and conspicuous results of structure analysis and molecular modelling of the condensed phases of organic compounds: quantum che...Loe edasi...
