000			02106nam a22002297a 4500
005			20241001143314.0
008			241001b |||||||| |||| 00| 0 eng d
020			_a9780323902922
028			_a: Technical Bureau India Pvt. Ltd. _b: 4794/23, ist Floor, Ansari Roadm New Delhi _c: TB1680 _d: 18/07/2024
082			_a620.0044 FRE
100			_aFrenkel, Daan.
245			_a Understanding Molecular Simulation. _c/ Frenkel Daan.
260			_aNew york _b: Academic press _c , 2002.
300			_axix,628p _c;23cm.
365			_b00
520			_aUnderstanding Molecular Simulation explains molecular simulation from a chemical-physics and statistical-mechanics perspective. It highlights how physical concepts are used to develop better algorithms and expand the range of applicability of simulations. Understanding Molecular Simulation is equally relevant for those who develop new code and those who use existing packages. Both groups are continuously confronted with the question of which computational technique best suits a given application. Understanding Molecular Simulation provides readers with the foundational knowledge they need to learn about, select and apply the most appropriate of these tools to their own work. The implementation of simulation methods is illustrated in pseudocodes, and their practical use is shown via case studies presented throughout the text. Since the second edition’s publication, the simulation world has expanded significantly: existing techniques have continued to develop, and new ones have emerged, opening up novel application areas. This new edition aims to describe these new developments without becoming exhaustive; examples are included that highlight current uses, and several new examples have been added to illustrate recent applications. Examples, case studies, questions, and downloadable algorithms are also included to support learning. No prior knowledge of computer simulation is assumed.
650			_aChemical-physics
650			_aStatistical-mechanics
650			_aMolecular Simulation
700			_aDaan Frenkel
942			_cBOOK
999			_c62487 _d62487