Large Scale Molecular Systems
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Large Scale Molecular Systems
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Author : Werner Gans
language : en
Publisher:
Release Date : 1991-09-01
Large Scale Molecular Systems written by Werner Gans and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1991-09-01 with categories.
Large Scale Molecular Systems
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Author : Werner Gans
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-08
Large Scale Molecular Systems written by Werner Gans and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-08 with Science categories.
This NATO Advanced Study Institute centered on large-scale molecular systems: Quantum mechanics, although providing a general framework for the description of matter, is not easily applicable to many concrete systems of interest; classical statistical methods, on the other hand, allow only a partial picture of the behaviour of large systems. The aim of the ASI was to present both aspects of the subject matter and to foster interaction between the scientists working in these important areas of theoretical physics and theoretical chemistry. The quantum-mechanical part was mostly based on the operator-algebraic formulation of quantum mechanics and comprised quantum statistics of infinite systems with special em phasis on macroscopic observables, equilibrium conditions, irreversibility on the one hand, symmetry breaking for molecules in the radiation field and macroscopic quantum phenomena in the theory of superconductivity (BCS-theory) on the other hand. In addition, phase-space methods for many-body systems were also presented. Statistical physics was the main topic in the other lectures of the School; much emphasis was put on the statistical features of macros copic ("large") systems, the lectures dealt with mass and energy transport im polymers, in gels and in microemulsions, with aggregation and growth phenomena, with relaxation in complex, correlated systems, with conduction and optical properties of polymers, and with the means of describing disordered systems, above all fractals and related hierarchical models.
Solitons In Molecular Systems
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Author : Davydov
language : en
Publisher: Springer Science & Business Media
Release Date : 2013-03-09
Solitons In Molecular Systems written by Davydov and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2013-03-09 with Science categories.
Approach your problems from the It isn't that they can't see the end and begin with the answers. solution. It is that they can't Then one day, perhaps you will see the problem. find the final question. G.K. Chesterton. The Scandal of 'The Hermit Clad in Crane Father Brown 'The Point of a Pin'. Feathers' in R. van Gulik's The Chinese Maze Murders. Growing specialization and diversification have brought a host of mono graphs and textbooks on increasingly topics. However, the "tree" of knowledge of mathematics and related fields does not grow only by putting forth new branches. It also happens, quite often in fact, that branches which were thought to be completely disparate are suddenly seen to be related. Further, the kind and level of sophistication of mathematics applied in various sciences has changed drastically in recent years: measure theory is used (non-trivially) in regional and theoretical economics; algebraic geometry interacts with physics; the Minkowsky lemma, coding theory and the structure of water meet one another in packing and covering theory; quantum fields, crystal defects and mathematical pro gramming profit from homotopy theory; Lie algebras are relevant to filtering; and prediction and electric engineering can use Stein spaces. And in addition to this there are such new emerging subdisciplines as "complete integrable systems", "chaos, synergetics and large-scale order", which are almost impossible to fit into the existing classifica tion schemes. The draw upon widely different sections of mathematics.
Hierarchical Methods For Dynamics In Complex Molecular Systems
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Author : Johannes Grotendorst
language : en
Publisher: Forschungszentrum Jülich
Release Date : 2012
Hierarchical Methods For Dynamics In Complex Molecular Systems written by Johannes Grotendorst and has been published by Forschungszentrum Jülich this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012 with categories.
Recent Advances Of The Fragment Molecular Orbital Method
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Author : Yuji Mochizuki
language : en
Publisher: Springer Nature
Release Date : 2021-01-04
Recent Advances Of The Fragment Molecular Orbital Method written by Yuji Mochizuki and has been published by Springer Nature this book supported file pdf, txt, epub, kindle and other format this book has been release on 2021-01-04 with Science categories.
This book covers recent advances of the fragment molecular orbital (FMO) method, consisting of 5 parts and a total of 30 chapters written by FMO experts. The FMO method is a promising way to calculate large-scale molecular systems such as proteins in a quantum mechanical framework. The highly efficient parallelism deserves being considered the principal advantage of FMO calculations. Additionally, the FMO method can be employed as an analysis tool by using the inter-fragment (pairwise) interaction energies, among others, and this feature has been utilized well in biophysical and pharmaceutical chemistry. In recent years, the methodological developments of FMO have been remarkable, and both reliability and applicability have been enhanced, in particular, for non-bio problems. The current trend of the parallel computing facility is of the many-core type, and adaptation to modern computer environments has been explored as well. In this book, a historical review of FMO and comparison to other methods are provided in Part I (two chapters) and major FMO programs (GAMESS-US, ABINIT-MP, PAICS and OpenFMO) are described in Part II (four chapters). dedicated to pharmaceutical activities (twelve chapters). A variety of new applications with methodological breakthroughs are introduced in Part IV (six chapters). Finally, computer and information science-oriented topics including massively parallel computation and machine learning are addressed in Part V (six chapters). Many color figures and illustrations are included. Readers can refer to this book in its entirety as a practical textbook of the FMO method or read only the chapters of greatest interest to them.
A Practical Introduction To The Simulation Of Molecular Systems
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Author : Martin J. Field
language : en
Publisher: Cambridge University Press
Release Date : 2007-07-19
A Practical Introduction To The Simulation Of Molecular Systems written by Martin J. Field and has been published by Cambridge University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2007-07-19 with Science categories.
Molecular 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.
Systems Biology
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Author : Robert A. Meyers
language : en
Publisher: John Wiley & Sons
Release Date : 2012-12-05
Systems Biology written by Robert A. Meyers and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-05 with Science categories.
Systems biology is a relatively new biological study field that focuses on the systematic study of complex interactions in biological systems, thus using a new perspective (integration instead of reduction) to study them. Particularly from year 2000 onwards, the term is used widely in the biosciences, and in a variety of contexts. Systems biology is the study of the interconnected aspect of molecular, cellular, tissue, whole animal and ecological processes, and comprises mathematical and mechanistic studies of dynamical, mesoscopic, open, spatiotemporally defined, nonlinear, complex systems that are far from thermodynamic equilibrium.
Molecular Systems Engineering
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Author :
language : en
Publisher: John Wiley & Sons
Release Date : 2010-04-26
Molecular Systems Engineering written by and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2010-04-26 with Technology & Engineering categories.
Inspired by the leading authority in the field, the Centre for Process Systems Engineering at Imperial College London, this book includes theoretical developments, algorithms, methodologies and tools in process systems engineering and applications from the chemical, energy, molecular, biomedical and other areas. It spans a whole range of length scales seen in manufacturing industries, from molecular and nanoscale phenomena to enterprise-wide optimization and control. As such, this will appeal to a broad readership, since the topic applies not only to all technical processes but also due to the interdisciplinary expertise required to solve the challenge. The ultimate reference for years to come.
Large Scale Optimization With Applications
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Author : Lorenz T. Biegler
language : en
Publisher: Springer Science & Business Media
Release Date : 2012-12-06
Large Scale Optimization With Applications written by Lorenz T. Biegler and has been published by Springer Science & Business Media this book supported file pdf, txt, epub, kindle and other format this book has been release on 2012-12-06 with Mathematics categories.
With contributions by specialists in optimization and practitioners in the fields of aerospace engineering, chemical engineering, and fluid and solid mechanics, the major themes include an assessment of the state of the art in optimization algorithms as well as challenging applications in design and control, in the areas of process engineering and systems with partial differential equation models.
Nanosystems
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Author : K. Eric Drexler
language : en
Publisher:
Release Date : 1992
Nanosystems written by K. Eric Drexler and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1992 with Computers categories.
By manipulating common molecules at high frequency, molecular manufacturing will make these products quickly, inexpensively, and on a large scale. Molecular manufacturing is the key to implementing molecular nanotechnologies, building systems to complex atomic specifications.".