Molecular Modeling and Simulation for Industrial Applications
Author: Svetlana Miroshnichenko
Publisher:
Published: 2016
Total Pages:
ISBN-13: 9783843928281
DOWNLOAD EBOOKRead and Download eBook Full
Author: Svetlana Miroshnichenko
Publisher:
Published: 2016
Total Pages:
ISBN-13: 9783843928281
DOWNLOAD EBOOKAuthor: Marc Meunier
Publisher: CRC Press
Published: 2016-04-19
Total Pages: 413
ISBN-13: 1439861021
DOWNLOAD EBOOKThe field of quantum and molecular simulations has experienced strong growth since the time of the early software packages. A recent study, showed a large increase in the number of people publishing papers based on ab initio methods from about 3,000 in 1991 to roughly 20,000 in 2009, with particularly strong growth in East Asia. Looking to the futu
Author: Keith E. Gubbins
Publisher: Taylor & Francis
Published: 1996
Total Pages: 568
ISBN-13: 9789056990053
DOWNLOAD EBOOKFirst published in 2004. Routledge is an imprint of Taylor & Francis, an informa company.
Author: Edward J. Maginn
Publisher: Springer Nature
Published: 2021-03-25
Total Pages: 228
ISBN-13: 9813366397
DOWNLOAD EBOOKThis highly informative and carefully presented book comprises select proceedings of Foundation for Molecular Modelling and Simulation (FOMMS 2018). The contents are written by invited speakers centered on the theme Innovation for Complex Systems. It showcases new developments and applications of computational quantum chemistry, statistical mechanics, molecular simulation and theory, and continuum and engineering process simulation. This volume will serve as a useful reference to researchers, academicians and practitioners alike.
Author: ProcessNet
Publisher:
Published: 2010
Total Pages:
ISBN-13:
DOWNLOAD EBOOKAuthor: K. I. Ramachandran
Publisher: Springer Science & Business Media
Published: 2008-05-20
Total Pages: 405
ISBN-13: 3540773045
DOWNLOAD EBOOKThe gap between introductory level textbooks and highly specialized monographs is filled by this modern textbook. It provides in one comprehensive volume the in-depth theoretical background for molecular modeling and detailed descriptions of the applications in chemistry and related fields like drug design, molecular sciences, biomedical, polymer and materials engineering. Special chapters on basic mathematics and the use of respective software tools are included. Numerous numerical examples, exercises and explanatory illustrations as well as a web site with application tools (http://www.amrita.edu/cen/ccmm) support the students and lecturers.
Author:
Publisher:
Published: 2010
Total Pages: 118
ISBN-13:
DOWNLOAD EBOOKAuthor: Martin J. Field
Publisher: Cambridge University Press
Published: 2007-07-19
Total Pages: 294
ISBN-13: 1139465813
DOWNLOAD EBOOKMolecular simulation is a powerful tool in materials science, physics, chemistry and biomolecular fields. This updated edition provides a pragmatic introduction to a wide range of techniques for the simulation of molecular systems at the atomic level. The first part concentrates on methods for calculating the potential energy of a molecular system, with new chapters on quantum chemical, molecular mechanical and hybrid potential techniques. The second part describes methods examining conformational, dynamical and thermodynamical properties of systems, covering techniques including geometry-optimization, normal-mode analysis, molecular dynamics, and Monte Carlo simulation. Using Python, the second edition includes numerous examples and program modules for each simulation technique, allowing the reader to perform the calculations and appreciate the inherent difficulties involved in each. This is a valuable resource for researchers and graduate students wanting to know how to use atomic-scale molecular simulations. Supplementary material, including the program library and technical information, available through www.cambridge.org/9780521852524.
Author: Tamar Schlick
Publisher: Springer Science & Business Media
Published: 2013-04-18
Total Pages: 669
ISBN-13: 0387224645
DOWNLOAD EBOOKVery broad overview of the field intended for an interdisciplinary audience; Lively discussion of current challenges written in a colloquial style; Author is a rising star in this discipline; Suitably accessible for beginners and suitably rigorous for experts; Features extensive four-color illustrations; Appendices featuring homework assignments and reading lists complement the material in the main text
Author: Artur Wymyslowski
Publisher: Springer
Published: 2014-11-20
Total Pages: 203
ISBN-13: 3319128620
DOWNLOAD EBOOKThis book offers readers a snapshot of the progression of molecular modeling in the electronics industry and how molecular modeling is currently being used to understand materials to solve relevant issues in this field. The reader is introduced to the evolving role of molecular modeling, especially seen from the perspective of the IEEE community and modeling in electronics. This book also covers the aspects of molecular modeling needed to understand the relationship between structures and mechanical performance of materials. The authors also discuss the transitional topic of multiscale modeling and recent developments on the atomistic scale and current attempts to reach the submicron scale, as well as the role that quantum mechanics can play in performance prediction.