Foundations of Molecular Modeling and Simulation: Select Papers from FOMMS 2018

This book summarizes select proceedings of FOMMS 2018, focusing on innovation for complex systems through computational quantum chemistry, statistical mechanics, molecular simulation, and continuum and engineering process simulation. It is a valuable resource for researchers, academics, and practitioners.

Format: Paperback / softback
Length: 220 pages
Publication date: 29 March 2022
Publisher: Springer Verlag, Singapore

This remarkable book, comprising a carefully curated selection of proceedings from the Foundation for Molecular Modelling and Simulation (FOMMS 2018), presents a wealth of highly informative content. The chapters are authored by esteemed invited speakers, all of whom have focused their contributions on the theme of Innovation for Complex Systems. Within its pages, readers are treated to a captivating display of cutting-edge developments and practical applications in computational quantum chemistry, statistical mechanics, molecular simulation and theory, as well as continuum and engineering process simulation. This comprehensive volume is destined to become an invaluable resource for researchers, academics, and practitioners alike, offering a deep understanding of the latest advancements and breakthroughs in these fields.

Introduction:
The Foundation for Molecular Modelling and Simulation (FOMMS) is a prestigious organization dedicated to advancing the field of molecular modelling and simulation. Each year, it hosts a conference called FOMMS, where researchers, academics, and industry professionals come together to share their latest findings and discuss the future of this rapidly evolving discipline. The proceedings of FOMMS 2018, which took place in Canada, represent a significant contribution to the body of knowledge in molecular modelling and simulation.

Contents:
The book is organized into five sections, each covering a different aspect of molecular modelling and simulation. The first section focuses on computational quantum chemistry, which is a powerful tool for studying the behavior of molecules and materials at the atomic and molecular levels. The authors discuss the latest developments in quantum chemistry algorithms, including density functional theory (DFT), molecular dynamics (MD), and quantum Monte Carlo (QMC) methods. They also explore the applications of these methods in drug discovery, materials science, and catalysis.

The second section explores statistical mechanics, a fundamental theory that describes the behavior of matter and systems in thermodynamic equilibrium. The authors discuss the application of statistical mechanics to various fields, such as molecular biology, biophysics, and chemical engineering. They discuss the use of statistical mechanics to model complex systems, such as protein folding, DNA replication, and drug binding, and how these models can be used to predict the behavior of biological systems and materials.

The third section focuses on molecular simulation, which is a computer-based method for simulating the behavior of molecules and materials. The authors discuss the latest developments in molecular simulation algorithms, including force field methods, molecular dynamics, and Monte Carlo methods. They also explore the applications of molecular simulation in drug discovery, materials science, and biophysics.

The fourth section explores continuum and engineering process simulation, which is a method for simulating the behavior of complex systems that involve multiple phases and interactions. The authors discuss the latest developments in continuum and engineering process simulation algorithms, including finite element methods, meshless methods, and particle methods. They also explore the applications of continuum and engineering process simulation in oil and gas production, chemical engineering, and aerospace engineering.

The fifth section explores the future of molecular modelling and simulation. The authors discuss the emerging trends and challenges in this field, such as the increasing demand for accurate and efficient simulations, the development of new simulation algorithms and techniques, and the integration of molecular modelling and simulation with other fields such as machine learning and big data analysis.

Conclusion:
In conclusion, this book is a valuable resource for researchers, academics, and practitioners in the field of molecular modelling and simulation. The carefully selected proceedings cover a wide range of topics and provide a comprehensive overview of the latest developments and applications in this field. The authors of the chapters are all experts in their respective areas, and their contributions are insightful and thought-provoking. This book will serve as a useful reference to researchers, academics, and practitioners alike, and will help to advance the field of molecular modelling and simulation in the years to come.

Weight: 361g
Dimension: 235 x 155 (mm)
ISBN-13: 9789813366411
Edition number: 1st ed. 2021