This book is for everyone interested in who we are and where we came from. Accessibly written, it presents the evidence from which the complex and tangled story of human evolution is reconstructed, and the techniques by which that evidence is interpreted.
This book is for everyone interested in who we are and where we came from. Accessibly written, it presents the evidence from which the complex and tangled story of human evolution is reconstructed, and the techniques by which that evidence is interpreted.
Shaofan Li is a full professor of computational science at the University of California, Berkeley. Dr. Li has been conducting research in atomistic and multiscale simulations since 2000, publishing more than 200 technical articles in peer-reviewed journals.
Inhaltsangabe
Preface ParT I. FIRST PRINCIPLE CALCULATIONS: 1. A short primer on quantum mechanics 2. Density functional theory 3. Quantum stress 4. An introduction to VSAP PART II. STATISTICAL MOLECULAR DYNAMICS: 5. Fundamentals of statistical mechanics 6. Fundamentals of molecular dynamics 7. Molecular dynamics time integration techniques 8. Temperature control in MD simulations 9. Andersen-Parrinello-Rahman molecular dynamics 10. Introduction to LAMMPS 11. Monte carlo methods 12. Langevin equations and dissipative particle 13. Non-equilibrium molecular dynamics Part III. MULTISCALE MODELING AND SIMULATION: 14. Virial theoreum and virial stress 15. Cauchy-born rile and multiscale methods 16. Statistical theory of cauchy continuum 17. Multiscale method (I): multiscale micromorhpic molecular dynamics 18. Multiscale methods (II) multiscale finite element methods Appendix A Bibliography Author index, Subject index.
Preface ParT I. FIRST PRINCIPLE CALCULATIONS: 1. A short primer on quantum mechanics 2. Density functional theory 3. Quantum stress 4. An introduction to VSAP PART II. STATISTICAL MOLECULAR DYNAMICS: 5. Fundamentals of statistical mechanics 6. Fundamentals of molecular dynamics 7. Molecular dynamics time integration techniques 8. Temperature control in MD simulations 9. Andersen-Parrinello-Rahman molecular dynamics 10. Introduction to LAMMPS 11. Monte carlo methods 12. Langevin equations and dissipative particle 13. Non-equilibrium molecular dynamics Part III. MULTISCALE MODELING AND SIMULATION: 14. Virial theoreum and virial stress 15. Cauchy-born rile and multiscale methods 16. Statistical theory of cauchy continuum 17. Multiscale method (I): multiscale micromorhpic molecular dynamics 18. Multiscale methods (II) multiscale finite element methods Appendix A Bibliography Author index, Subject index.
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