Understanding Molecular Simulation From Algorithms to Applications Computational Science Series Vol 1 Daan Frenkel Berend Smit 9780122673511 Books Lecteur PDF gratuit TIO

Understanding Molecular Simulation From Algorithms to Applications Computational Science Series Vol 1 Daan Frenkel Berend Smit 9780122673511 Books Télécharger i Understanding%20Molecular%20Simulation%20From%20Algorithms%20to%20Applications%20Computational%20Science%20Series%20Vol%201%20Daan%20Frenkel%20Berend%20Smit%209780122673511%20Books

QCG

Understanding%20Molecular%20Simulation%20From%20Algorithms%20to%20Applications%20Computational%20Science%20Series%20Vol%201%20Daan%20Frenkel%20Berend%20Smit%209780122673511%20Books

Télécharger i Understanding Molecular Simulation From Algorithms to Applications Computational Science Series Vol 1 Daan Frenkel Berend Smit 9780122673511 Books QCG

LISTERDALE MYSTERY PB Agatha Christie 9780008196431 Books Lecteur PDF gratuit ZYA

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 technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on

• Transition path sampling and diffusive barrier crossing to simulaterare events
• Dissipative particle dynamic as a course-grained simulation technique
• Novel schemes to compute the long-ranged forces
• Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations
• Multiple-time step algorithms as an alternative for constraints
• Defects in solids
• The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules
• Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Daan Frenkel, Berend Smit,Understanding Molecular Simulation From Algorithms to Applications (Computational Science Series, Vol 1),Academic Press,0122673514,Chemistry - Physical Theoretical,Computer Engineering,Intermolecular forces - Computer simulation,Intermolecular forces;Computer simulation.,Molecules - Mathematical models,Molecules;Mathematical models.,3D graphics modelling,Atomic molecular physics,Biomedical engineering,COMPUTER SIMULATION,COMPUTERS / Computer Engineering,Chemical Biochemical,Computer Applications,Intermolecular forces,MOLECULAR CHEMISTRY,Materials science,Mathematical Computational,Mathematical models,Molecules,Molecules - Mathematical models,Molecules;Mathematical models.,Non-Fiction,Physical Sciences,Physical and Theoretical Chemistry,Physics,Physics - Mathematical Computational,Physics - Quantum Theory,SCI/TECH,SCIENCE,SCIENCE / Chemistry / Physical Theoretical,SCIENCE / Physics / Mathematical Computational,SCIENCE / Physics / Quantum Theory,Scholarly/Graduate,Science/Biotechnology,Science/Math,Science/Mathematics,Science/Physics - Mathematical Computational,Technology Engineering/Chemical Biochemical,United States,statistical mechanics; entropy; ensembles; free energy; solids; molecules; particles,COMPUTERS / Computer Engineering,Chemical Biochemical,Physics - Mathematical Computational,Physics - Quantum Theory,SCIENCE / Chemistry / Physical Theoretical,SCIENCE / Physics / Mathematical Computational,SCIENCE / Physics / Quantum Theory,Science/Biotechnology,Science/Physics - Mathematical Computational,Technology Engineering/Chemical Biochemical,Science,Computer Simulation,Molecular Chemistry,Intermolecular forces,Mathematical models,Molecules,Science/Mathematics,3D graphics modelling,Atomic molecular physics,Biomedical engineering,Materials science

Understanding Molecular Simulation From Algorithms to Applications Computational Science Series Vol 1 Daan Frenkel Berend Smit 9780122673511 Books Reviews :

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 technique for a given application. A wide variety of tools exist, so the choice of technique requires a good understanding of the basic principles. More importantly, such understanding may greatly improve the efficiency of a simulation program. The implementation of simulation methods is illustrated in pseudocodes and their practical use in the case studies used in the text.

Since the first edition only five years ago, the simulation world has changed significantly -- current techniques have matured and new ones have appeared. This new edition deals with these new developments; in particular, there are sections on

• Transition path sampling and diffusive barrier crossing to simulaterare events
• Dissipative particle dynamic as a course-grained simulation technique
• Novel schemes to compute the long-ranged forces
• Hamiltonian and non-Hamiltonian dynamics in the context constant-temperature and constant-pressure molecular dynamics simulations
• Multiple-time step algorithms as an alternative for constraints
• Defects in solids
• The pruned-enriched Rosenbluth sampling, recoil-growth, and concerted rotations for complex molecules
• Parallel tempering for glassy Hamiltonians

Examples are included that highlight current applications and the codes of case studies are available on the World Wide Web. Several new examples have been added since the first edition to illustrate recent applications. Questions are included in this new edition. No prior knowledge of computer simulation is assumed.

Daan Frenkel, Berend Smit,Understanding Molecular Simulation From Algorithms to Applications (Computational Science Series, Vol 1),Academic Press,0122673514,Chemistry - Physical Theoretical,Computer Engineering,Intermolecular forces - Computer simulation,Intermolecular forces;Computer simulation.,Molecules - Mathematical models,Molecules;Mathematical models.,3D graphics modelling,Atomic molecular physics,Biomedical engineering,COMPUTER SIMULATION,COMPUTERS / Computer Engineering,Chemical Biochemical,Computer Applications,Intermolecular forces,MOLECULAR CHEMISTRY,Materials science,Mathematical Computational,Mathematical models,Molecules,Molecules - Mathematical models,Molecules;Mathematical models.,Non-Fiction,Physical Sciences,Physical and Theoretical Chemistry,Physics,Physics - Mathematical Computational,Physics - Quantum Theory,SCI/TECH,SCIENCE,SCIENCE / Chemistry / Physical Theoretical,SCIENCE / Physics / Mathematical Computational,SCIENCE / Physics / Quantum Theory,Scholarly/Graduate,Science/Biotechnology,Science/Math,Science/Mathematics,Science/Physics - Mathematical Computational,Technology Engineering/Chemical Biochemical,United States,statistical mechanics; entropy; ensembles; free energy; solids; molecules; particles,COMPUTERS / Computer Engineering,Chemical Biochemical,Physics - Mathematical Computational,Physics - Quantum Theory,SCIENCE / Chemistry / Physical Theoretical,SCIENCE / Physics / Mathematical Computational,SCIENCE / Physics / Quantum Theory,Science/Biotechnology,Science/Physics - Mathematical Computational,Technology Engineering/Chemical Biochemical,Science,Computer Simulation,Molecular Chemistry,Intermolecular forces,Mathematical models,Molecules,Science/Mathematics,3D graphics modelling,Atomic molecular physics,Biomedical engineering,Materials science

Understanding Molecular Simulation From Algorithms to Applications (Computational Science Series, Vol 1) [Daan Frenkel, Berend Smit] on . Understanding Molecular Simulation From Algorithms to Applications/i 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 technique for a given application. A wide variety of tools exist

 

Product details Series Computational Science Series, Vol 1 Hardcover 664 pages Publisher Academic Press; 2 edition (October 24, 2001) Language English ISBN-10 0122673514

"" [Review ]

Tags : Télécharger i,