☆☆☆☆☆
簡體網頁||繁體網頁



點擊這裡下載

類似圖書 點擊查看全場最低價

---

內容簡介

Why did we write a second edition？ A minor revision of the first editionwould have been adequate to correct the （admittedly many） typographicalmistakes. However, many of the nice comments that we received from stu-dents and colleagues alike, ended with a remark of the type： "unfortunately,you dont discuss topic x".

內頁插圖

目錄

Preface to the Second Edition
Preface
List of Symbols
1 Introduction
Part 1 Basics
2 Statistical Mechanics
2.1 Entropy and Temperature
2.2 Classical Statistical Mechanics
2.2.1 Ergodicity
2.3 Questions and Exercises
3 Monte Carlo Simulations
3.1 The Monte Carlo Method
3.1.1 Importance Sampling
3.1.2 The Metropolis Method
3.2 A Basic Monte Carlo Algorithm
3.2.1 The Algorithm
3.2.2 Technical Details
3.2.3 Detailed Balance versus Balance
3.3 Trial Moves
3.3.1 Translational Moves
3.3.2 Orientational Moves
3.4 Applications
3.5 Questions and Exercises
4 Molecular Dynamics Simulations
4.1 Molecular Dynamics： The Idea
4.2 Molecular Dynamics： A Program
4.2.1 Initialization
4.2.2 The Force Calculation
4.2.3 Integrating the Equations of Motion
4.3 Equations of Motion
4.3.1 Other Algorithms
4.3.2 Higher-Order Schemes
4.3.3 LiouviUe Formulation of Time-Reversible Algorithms
4.3.4 Lyapunov Instability
4.3.5 One More Way to Look at the Verlet Algorithm
4.4 Computer Experiments
4.4.1 Diffusion
4.4.2 Order-Algorithm to Measure Correlations
4.5 Some Applications
4.6 Questions and Exercises

Part 2 Ensembles
5 Monte Carlo Simulations in Various Ensembles
5.1 General Approach
5.2 Canonical Ensemble
5.2.1 Monte Carlo Simulations
5.2.2 Justification of the Algorithm
5.3 Microcanonical Monte Carlo
5.4 Isobaric-Isothermal Ensemble
5.4.1 Statistical Mechanical Basis
5.4.2 Monte Carlo Simulations
5.4.3 Applications
5.5 Isotension-Isothermal Ensemble
5.6 Grand-Canonical Ensemble
5.6.1 Statistical Mechanical Basis
5.6.2 Monte Carlo Simulations
5.6.3 Justification of the Algorithm
5.6.4 Applications
5.7 Questions and Exercises
6 Molecular Dynamics in Various Ensembles
6.1 Molecular Dynamics at Constant Temperature
6.1.1 The Andersen Thermostat 4
6.1.2 Nos Hoover Thermostat
……
Part 3 Free Energies and Phase Equilibria
Part 4 Advanced Techniques
Part 5 Appendices

精彩書摘

It is difficult to talk about Monte Carlo or Molecular Dynamics programs inabstract terms. The best way to explain how such programs work is to writethem down. This will be done in the present section.Most Monte Carlo or Molecular Dynamics programs are only a few hun- dred to several thousand lines long. This is very short compared to, forinstance, a typical quantum-chemistry code. For this reason, it is not un- common that a simulator will write many different programs that are tailor-made for specific applications. The result is that there is no such thing as a standard Monte Carlo or Molecular Dynamics program. However, the cores of most MD/MC programs are, if not identical, at least very similar. Next,we shall construct such a core. It will be very rudimentary, and efficiency has been traded for clarity. But it should demonstrate how the Monte Carlomethod works.

前言/序言

　　Why did we write a second edition？ A minor revision of the first editionwould have been adequate to correct the （admittedly many） typographicalmistakes. However, many of the nice comments that we received from stu-dents and colleagues alike, ended with a remark of the type: "unfortunately,you dont discuss topic x". And indeed, we feel that, after only five years,the simulation world has changed so much that the title of the book was nolonger covered by the contents.The first edition was written in 1995 and since then several new tech-niques have appeared or matured. Most （but not all） of the major changesin the second edition deal with these new developments. In particular, wehave included a section on.

分子模擬入門（第2版） [Understanding Molecular Simulation] 下載 mobi epub pdf txt 電子書

評分☆☆☆☆☆

英文版的，看起來比較睏難，

評分☆☆☆☆☆

正版通俗易懂印刷精美講解清晰

評分☆☆☆☆☆

評分☆☆☆☆☆

準備學量化和高斯，先準備著

評分☆☆☆☆☆

"[SM]和描述的一樣，好評！ 上周周六，閑來無事，上午上瞭一個上午網，想起好久沒買書瞭，似乎我買書有點上癮，一段時間不逛書店就周身不爽，難道男人逛書店就象女人逛商場似的上癮？於是下樓吃瞭碗麵，這段時間非常冷，還下這雨，到書店主要目的是買一大堆書，上次專程去買卻被告知缺貨，這次應該可以買到瞭吧。可是到一樓的查詢處問，小姐卻說昨天剛到的一批又賣完瞭！暈！為什麼不多進點貨，於是上京東挑選書。好瞭，廢話不說。好瞭，我現在來說說這本書的觀感吧，一個人重要的是找到自己的腔調，不論說話還是寫字。腔調一旦確立，就好比打架有瞭塊趁手的闆磚，怎麼使怎麼順手，怎麼拍怎麼有勁，順帶著身體姿態也揮灑自如，打架簡直成瞭舞蹈，兼有瞭美感和韻味。要論到寫字，腔調甚至先於主題，它是一個人特有的形式，或者工具；不這麼說，不這麼寫，就會彆扭；工欲善其事，必先利其器，腔調有時候就是“器”，有時候又是“事”，對一篇文章或者一本書來說，器就是事，事就是器。這本書，的確是用他特有的腔調錶達瞭對“腔調”本身的贊美。|發貨真是齣乎意料的快，昨天下午訂的貨，第二天一早就收到瞭，贊一個，書質量很好，正版。獨立包裝，每一本有購物清單，讓人放心。幫人傢買的書，周五買的書，周天就收到瞭，快遞很好也很快，包裝很完整，跟同學一起買的兩本，我們都很喜歡，謝謝！瞭解京東：2013年3月30日晚間，京東商城正式將原域名360buy更換為jd，並同步推齣名為“joy”的吉祥物形象，其首頁也進行瞭一定程度改版。此外，用戶在輸入jingdong域名後，網頁也自動跳轉至jd。對於更換域名，京東方麵錶示，相對於原域名360buy，新切換的域名jd更符閤中國用戶語言習慣，簡潔明瞭，使全球消費者都可以方便快捷地訪問京東。同時，作為“京東”二字的拼音首字母拼寫，jd也更易於和京東品牌産生聯想，有利於京東品牌形象的傳播和提升。京東在進步，京東越做越大。||||好瞭，現在給大傢介紹兩本本好書：《謝謝你離開我》是張小嫻在《想念》後時隔兩年推齣的新散文集。從拿到文稿到把它送到讀者麵前，幾個月的時間，欣喜與不捨交雜。這是張小嫻最美的散文。美在每個充滿靈性的文字，美在細細道來的傾訴話語。美在作者書寫時真實飽滿的情緒，更美在打動人心的厚重情感。從裝禎到設計前所未有的突破，每個精緻跳動的文字，不再隻是黑白配，而是有瞭鮮艷的色彩，首次全彩印刷，法國著名唯美派插畫大師，親繪插圖。|兩年的等待加最美的文字，就是你麵前這本最值得期待的新作。《洗腦術：怎樣有邏輯地說服他人》全球最高端隱秘的心理學課程，徹底改變你思維邏輯的頭腦風暴。白宮智囊團、美國FBI、全球十大上市公司總裁都在秘密學習！當今世界最高明的思想控製與精神綁架，政治、宗教、信仰給我們的終極啓示。全球最高端隱秘的心理學課程，一次徹底改變你思維邏輯的頭腦風暴。從國傢、宗教信仰的層麵透析“思維的真相”。白宮智囊團、美國FBI、全球十大上市公司總裁都在秘密學習！《洗腦術：怎樣有邏輯地說服他人》涉及心理學、社會學、神經生物學、醫學、犯罪學、傳播學適用於：讀心、攻心、高端談判、公關危機、企業管理、情感對話……洗腦是所有公司不願意承認，卻是真實存在的公司潛規則。它不僅普遍存在，而且無孔不入。閱讀本書，你將獲悉：怎樣快速說服彆人，讓人無條件相信你？如何給人完美的第一印象，培養無法抗拒的個人魅力？如何走進他人的大腦，控製他們的思想？怎樣引導他人的情緒，並將你的意誌灌輸給他們？如何構建一種信仰，為彆人造夢？[SZ]"

評分☆☆☆☆☆

評分☆☆☆☆☆

推薦給生物專業的，很實用。

評分☆☆☆☆☆

還沒打開，彆人推薦，應該不錯

評分☆☆☆☆☆

類似圖書 點擊查看全場最低價