Computer Meets Theoretical Physics : The New Frontier of Molecular Simulation / by Giovanni Battimelli, Giovanni Ciccotti, Pietro Greco.

Battimelli, Giovanni, author., Author,
Cham : Springer International Publishing : Imprint: Springer, 2020.
1 online resource (X, 206 pages) : 53 illustrations, 22 illustrations in color.
1st ed. 2020.
Physics and Astronomy (SpringerNature-11651)
The Frontiers Collection, 1612-3018
The Frontiers Collection, 1612-3018
Contained In:
Springer Nature eBook

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Chemistry, Physical and theoretical.
Computer simulation.
Local subjects:
Numerical and Computational Physics, Simulation. (search)
History and Philosophical Foundations of Physics. (search)
Theoretical and Computational Chemistry. (search)
Popular Science in Physics. (search)
Simulation and Modeling. (search)
Data-driven Science, Modeling and Theory Building. (search)
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This book provides a vivid account of the early history of molecular simulation, a new frontier for our understanding of matter that was opened when the demands of theoretical physicists were met by the availability of the modern computers. Since their inception, electronic computers have enormously increased their performance, thus making possible the unprecedented technological revolution that characterizes our present times. This obvious technological advancement has brought with it a silent scientific revolution in the practice of theoretical physics. In particular, in the physics of matter it has opened up a direct route from the microscopic physical laws to observable phenomena. One can now study the time evolution of systems composed of millions of molecules, and simulate the behaviour of macroscopic materials and actually predict their properties. Molecular simulation has provided a new theoretical and conceptual tool that physicists could only dream of when the foundations of statistical mechanics were laid. Molecular simulation has undergone impressive development, both in the size of the scientific community involved and in the range and scope of its applications. It has become the ubiquitous workhorse for investigating the nature of complex condensed matter systems in physics, chemistry, materials and the life sciences. Yet these developments remain largely unknown outside the inner circles of practitioners, and they have so far never been described for a wider public. The main objective of this book is therefore to offer a reasonably comprehensive reconstruction of the early history of molecular simulation addressed to an audience of both scientists and interested non-scientists, describing the scientific and personal trajectories of the main protagonists and discussing the deep conceptual innovations that their work produced.
A new science
The origins of simulation
The growth of molecular dynamics
Molecular simulation lands in Europe
CECAM and the development of molecular simulation
Simulation comes of age
Quantum systems and critical phenomena
A first finishing line and some provisional conclusions.
Ciccotti, Giovanni, author., Author,
Greco, Pietro. author., Author,
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10.1007/978-3-030-39399-1 doi
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