| Autore |
Alavi Saman
|
| Pubbl/distr/stampa |
Newark : , : John Wiley & Sons, Incorporated, , 2020
|
| Descrizione fisica |
1 online resource (345 pages)
|
| Disciplina |
541.22
|
| Soggetto topico |
Molecular dynamics
Computational chemistry
|
| ISBN |
3-527-69946-5
3-527-69953-8
3-527-69945-7
|
| Formato |
Materiale a stampa  |
| Livello bibliografico |
Monografia |
| Lingua di pubblicazione |
eng
|
| Nota di contenuto |
Cover -- Title Page -- Copyright -- Contents -- Preface -- Chapter 1 Introduction – Studying Systems from Two Viewpoints -- Chapter 2 Classical Mechanics and Numerical Methods -- 2.1 Mechanics – The Study of Motion -- 2.2 Classical Newtonian Mechanics -- 2.3 Analytical Solutions of Newton's Equations and Phase Space -- 2.3.1 Motion of an Object Under Constant Gravitational Force -- 2.3.2 One‐Dimensional Harmonic Oscillator -- 2.3.3 Radial Force Functions in Three Dimensions -- 2.3.4 Motion Under the Influence of a Drag Force -- 2.4 Numerical Solution of Newton's Equations: The Euler Method -- 2.5 More Efficient Numerical Algorithms for Solving Newton's Equations -- 2.5.1 The Verlet Algorithm -- 2.5.2 The Leapfrog Algorithm -- 2.5.3 The Velocity Verlet Algorithm -- 2.5.4 Considerations for Numerical Solution of the Equations of Motion -- 2.6 Examples of Using Numerical Methods for Solving Newton's Equations of Motion -- 2.6.1 Motion Near the Earth's Surface Under Constant Gravitational Force -- 2.6.2 One‐Dimensional Harmonic Oscillator -- 2.7 Numerical Solution of the Equations of Motion for Many‐Atom Systems -- 2.8 The Lagrangian and Hamiltonian Formulations of Classical Mechanics -- Chapter 2 Appendices -- 2.A.1 Separation of Motion in Two‐Particle Systems with Radial Forces -- 2.A.2 Motion Under Spherically Symmetric Forces -- Chapter 3 Intra- and Intermolecular Potentials in Simulations -- 3.1 Introduction – Electrostatic Forces Between Atoms
|
| Altri titoli varianti |
Molecular Simulations
|
| Record Nr. | UNINA-9911019853303321 |
Info
Molecular Simulations : Fundamentals and Practice
