Chapter 4 is dedicated to a comparison of traditional and advanced methods of analysing nuclear safety problems in thermal and fast reactors, Chapter 5 concerns simulation of thermophoresis and aerosol displacement in atmospheric physics, and Chapte...Daugiau...
(Išleidimo metai: 15-May-2025, Hardback, Leidėjas: Oxford University Press, ISBN-13: 9780198893417)
Embark on a fascinating exploration of molecular dynamics, seamlessly blending the new probabilistic interpretation with cutting-edge simulations, some of which are performed on the largest supercomputers on our planet. From fundamental principles to...Daugiau...
Efficient navigation in terms of travel time and energy dissipation is of crucial importance for biological micro-swimmers. The design of optimally navigating artificial swimmers also has potentially valuable applications such as targeted drug del...Daugiau...
Ana Clarissa dos Santos Pires, Luis Henrique Mendes da Silva
Serija: Methods and Protocols in Food Science
(Išleidimo metai: 25-Jan-2025, Hardback, Leidėjas: Springer-Verlag New York Inc., ISBN-13: 9781071642931)
This volume provides a comprehensive introduction to methods and procedures related to the preparation, characterization, and main result interpretations of methods used for studying molecular interactions in Food Science. Chapters detail spectros...Daugiau...
Time-Resolved Methods in Structural Biology series, highlights new advances in the field, with this new volume presenting interesting chapters. Each chapter is written by an international board of authors....Daugiau...
This thesis proposes useful tools, on-the-fly trajectory mapping method and Reaction Space Projector (ReSPer), to analyze chemical reaction mechanisms by combining the reaction route map and the ab initio molecular dynamics. The key concept for the p...Daugiau...
(Išleidimo metai: 30-Sep-2024, Hardback, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811295812)
This monograph features the authors outstanding contributions to the field. The first four chapters provide an excellent review of the fundamental subjects that are crucial to understanding laser-molecule interactions, with the highlight being his...Daugiau...
This book deals with a central topic at the interface of chemistry and physics the understanding of how the transformation of matter takes place at the atomic level. Building on the laws of physics, the book focuses on the theoretical framework for...Daugiau...
This book shows how to derive the simple and accurate semiclassical methods analytically and its applications to excited-state molecular dynamics and spectroscopy simulation with and without classical trajectories. It consists of eight chapters de...Daugiau...
This edited volume focuses on the study of stress in plants and how it can be effectively managed. With the growing global population, the importance of crop yield and stress management has become a critical issue, and this book offers solutions t...Daugiau...
(Išleidimo metai: 05-Jun-2024, Hardback, Leidėjas: Royal Society of Chemistry, ISBN-13: 9781837671915)
This book outlines the unparalleled potential of NMR relaxation experiments to elucidate molecular dynamics for undergraduates to academics and those in industry. Interested in analysing complex systems? Have you considered nuclear magneti...Daugiau...
The book provides a detailed quantitative study and characterization of the physics of the thermal and viscoelastic behavior of mainly amorphous materials, and addresses a readership of both undergraduate (Part I and the two first chapters of Pa...Daugiau...
The book focuses on correlation of mechanical behavior with structural evaluation and the underlying mechanism through molecular dynamics technique using Large-scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) platform. It also gives idea...Daugiau...
Dynamics and Transport in Macromolecular Networks Comprehensive knowledge on concepts and experimental advancement, as well as state-of-the-art computational tools and techniques for simulation and theory Dynamics and Transport...Daugiau...
(Išleidimo metai: 01-Dec-2023, Hardback, Leidėjas: John Wiley & Sons Inc, ISBN-13: 9781119696285)
Dynamics and Kinetics in Structural Biology Understand the latest experimental tools in structural biology with this pioneering work Structural biology seeks to understand the chemical mechanisms and functions of biological molecu...Daugiau...
COVID-19 has brought us extensive research databases in the fields of biophysics, biology, and bioinformatics. To extract valuable structural bioinformatic information of SARS-CoV-2 structural and nonstructural proteins, it is necessary to work wi...Daugiau...
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields uti...Daugiau...
Charge and Energy Transfer Dynamics in Molecular Systems Comprehensive resource offering knowledge on charge and energy transfer dynamics in molecular systems and nanostructures Charge and Energy Transfer Dynamics in Molecular Systems pro...Daugiau...
This book presents the latest theoretical studies giving new predictions and interpretations on the quantum correlation in molecular dynamics induced by ultrashort laser pulses. The author quantifies the amount of correlation in terms of en...Daugiau...
Julien Clinton Sprott, William Graham Hoover, Carol Griswold Hoover
(Išleidimo metai: 30-Jan-2023, Hardback, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811263569)
A recent development is the discovery that simple systems of equations can have chaotic solutions in which small changes in initial conditions have a large effect on the outcome, rendering the corresponding experiments effectively irreproducible and...Daugiau...
This book sheds light on the molecular aspects of liquids and liquid-based materials such as organic or inorganic liquids, ionic liquids, proteins, biomaterials, and soft materials including gels. The reader discovers how the molecular basics of...Daugiau...
This textbook presents a concise comparison of catalytic and biocatalytic systems outlining their catalytic properties and peculiarities. Moreover, it presents a brief introduction to the science of catalysis and attempts to unify different catalytic...Daugiau...
This thesis makes significant advances to the understanding of bottlebrush polymers. While bottlebrushes have received much attention due to the recent discovery of their unprecedented properties, including supersoftness, ultra-low viscosity, and hyp...Daugiau...
This book describes the forcefields/interatomic potentials that are used in the atomistic-scale and molecular dynamics simulations. It covers mechanisms, salient features, formulations, important aspects and case studies of various forcefields uti...Daugiau...
(Išleidimo metai: 14-Jul-2022, Hardback, Leidėjas: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811237904)
Vibrational Dynamics of Molecules represents the definitive concise text on the cutting-edge field of vibrational molecular chemistry. The included topics span the field, from fundamental theory such as collocation methods and vibrational CI methods...Daugiau...
This book presents the latest theoretical studies giving new predictions and interpretations on the quantum correlation in molecular dynamics induced by ultrashort laser pulses. The author quantifies the amount of correlation in terms of en...Daugiau...
Written by the leading experts and active practitioners from across the world, this book provides a comprehensive review of the fundamentals and practical applications of atomistic simulations of inorganic glasses. After providing a concise overvi...Daugiau...
Molecular Dynamic Simulation for Engineering and Materials explains the fundamentals of MD simulation and explores recent developments in advanced modeling approaches based on the MD method. The improvements in efficiency and accuracy deliv...Daugiau...
