A first in its field, this book is both an introduction to computer simulation of liquids for upper level undergraduates and a how-to guide for specialists. The authors discuss the latest simulation techniques of molecular dynamics and the Monte Carlo methods as well as how to avoid common programming pitfalls. Theoretical concepts and practical programming advice are amply reinforced with examples of computer simulation in action and samples of Fortran code. The authors have also included a wide selection of programs and routines on microfiche to aid chemists, physicists, chemical engineers, and computer scientists, as well as graduate and advanced students in chemistry
2022-05-13 14:12:11 4.04MB Computer Simulation of Liquids
1
Computer simulation of liquids
2021-10-31 10:42:45 3.88MB Computer simulation of liquids
1
第一章 Introduction 第二章 Statistical mechanics 第三章 Molecular Dynamics 第四章 Monte Carlo methods 第五章 Some tricks of the trade 第六章 Long-range forces 第七章 Parallel simulation 第八章 How to analyse the results 第九章 Advanced Monte Carlo methods 第十章 Rare event simulation
2021-10-14 15:21:27 4.07MB lammps MD
1
introduction; statistical mechanics; molecular dynamics; Monte Carlo methods; some tricks of the trade; how to analyse the results; advanced simulation techniques; non-equilibrium molecular dynamics; brownian dynamics; quantum simulations; some applications;
2021-09-22 09:34:22 17.02MB fortran
1
最新的2020年完整英文版欧洲电子烟标准-EN 17375:2020 Electronic cigarettes and e-liquids-Reference e-liquids(电子烟和电子烟油-参考电子烟油),本标准规定了用于测试电子烟产生的排放的参考电子液体[1],也适用于电子烟空售、不含电子烟液,以及产品信息或使用说明中没有具体说明与设备一起使用的电子烟液的成分特性的情况下使用的参考电子烟液。值得电子烟及烟油研发、品质及认证人员下载参考使用!
2021-01-28 01:44:03 2.38MB en17375 电子烟 烟油 cigarette
computer simulation of liquids第二版。github上有配套代码
2019-12-21 20:24:21 4MB 计算化学 计算生物学
1