| |
|
|
|
|
|
|
|
|
1. |
Record Nr. |
UNINA9911019853303321 |
|
|
Autore |
Alavi Saman |
|
|
Titolo |
Molecular Simulations : Fundamentals and Practice |
|
|
|
|
|
Pubbl/distr/stampa |
|
|
Newark : , : John Wiley & Sons, Incorporated, , 2020 |
|
©2020 |
|
|
|
|
|
|
|
|
|
ISBN |
|
3-527-69946-5 |
3-527-69953-8 |
3-527-69945-7 |
|
|
|
|
|
|
|
|
Descrizione fisica |
|
1 online resource (345 pages) |
|
|
|
|
|
|
Disciplina |
|
|
|
|
|
|
Soggetti |
|
Molecular dynamics |
Computational chemistry |
|
|
|
|
|
|
|
|
Lingua di pubblicazione |
|
|
|
|
|
|
Formato |
Materiale a stampa |
|
|
|
|
|
Livello bibliografico |
Monografia |
|
|
|
|
|
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 |
|
|
|
|
|
|
Sommario/riassunto |
|
This book provides a comprehensive guide to molecular simulations, focusing on their theoretical foundations and practical applications. Covering topics such as classical mechanics, quantum mechanics, statistical mechanics, probability theory, and computational techniques, it delves into the methodologies used for simulating molecular and atomic interactions. The text discusses numerical algorithms, force fields, simulation dynamics, and applications in areas like thermodynamics, structural properties, and transport coefficients. Intended for researchers, students, and professionals in chemistry, physics, and materials science, the book aims to bridge the gap between fundamental principles and advanced simulation practices through detailed explanations and practical examples. |
|
|
|
|
|
|
|
|
2. |
Record Nr. |
UNINA9910734845903321 |
|
|
Titolo |
Logistics Management : Products, Actors, Technology - Proceedings of the German Academic Association for Business Research, Bremen, 2013 / / edited by Jan Dethloff, Hans-Dietrich Haasis, Herbert Kopfer, Herbert Kotzab, Jörn Schönberger |
|
|
|
|
|
|
|
Pubbl/distr/stampa |
|
|
Cham : , : Springer International Publishing : , : Imprint : Springer, , 2015 |
|
|
|
|
|
|
|
|
|
ISBN |
|
|
|
|
|
|
Edizione |
[1st ed. 2015.] |
|
|
|
|
|
Descrizione fisica |
|
1 online resource (522 p.) |
|
|
|
|
|
|
Collana |
|
Lecture Notes in Logistics, , 2194-8925 |
|
|
|
|
|
|
Disciplina |
|
|
|
|
|
|
Soggetti |
|
Industrial Management |
Production management |
Transportation engineering |
Traffic engineering |
Operations Management |
Transportation Technology and Traffic Engineering |
|
|
|
|
|
|
|
|
Lingua di pubblicazione |
|
|
|
|
|
|
Formato |
Materiale a stampa |
|
|
|
|
|
Livello bibliografico |
Monografia |
|
|
|
|
|
Note generali |
|
Description based upon print version of record. |
|
|
|
|
|
|
|
|
|
|
|
|
Nota di bibliografia |
|
Includes bibliographical references. |
|
|
|
|
|
|
Nota di contenuto |
|
Why is the transport and logistics sector lacking environmental performance? Lessons from the sectors of production of building materials and wholesaling -- Internal enablers for the implementation of sustainable supply chain risk management systems -- Evaluation of green transport modes for containerized cargo -- Evaluation of CO2 abatement measures for (bio-) fuel production -- Carbon Efficiency of Humanitarian Supply Chains: Evidence from French Red Cross operations -- Return management for remanufacturing A review of quantitative models in Reverse Logistics and their assumptions regarding product returns -- A manufacturer-retailer supply chain with fuzzy consumer demand -- Future transport volume and demographic change – An intermodal GAMS approach. |
|
|
|
|
|
|
|
|
Sommario/riassunto |
|
This contributed volume contains the collected research papers presented at the Logistik-Management-Konferenz 2013 organized by the VHB Wissenschaftliche Kommission Logistik, held in Bremen 2013. The papers reflect the current state-of-the-art in logistics and supply chain management, focusing on environmental sustainability in logistics and supply chain network dynamics and control. The target audience primarily comprises research experts in the field as well as practitioners but the book may also be beneficial for graduate students. |
|
|
|
|
|
|
|
| |