This book keeps an eye in the direction of applications of advanced and high performance scientific computing in describing the behavior of natural and constructed systems, e.g. chaos, bifurcation, fractal, Lyapunov exponent, period doubling, Poin...Lasīt vairāk
Computational Methods in Drug Discovery and Repurposing for Cancer Therapy provides knowledge about ongoing research as well as computational approaches for drug discovery and repurposing for cancer therapy. The book also provides detailed...Lasīt vairāk
Advances and challenges in nuclear and radiochemistryRare earth elements (REEs) and actinides are critical to electronics, communication, military applications, and green energy systems. They also play a large role in nuclear...Lasīt vairāk
This book is a modern presentation of quantum chemical concepts and how it relates to quantum computing to solve problems, focusing on a basic understanding of matter and the building blocks of molecules. We take a deep dive into the postulates of q...Lasīt vairāk
(Izdošanas datums: 23-May-2022, Hardback, Izdevniecība: De Gruyter, ISBN-13: 9783110495171)
In Silico Chemistry and Biology: Current and Future Prospects provides a compact overview on recent advances in this highly dynamic branch of chemistry. Various methods of protein modelling and computer-assisted drug design are presented,...Lasīt vairāk
Annual Reports in Computational Chemistry, Volume 17 provides timely and critical reviews on important topics in computational chemistry. Topics covered in the series include quantum chemistry, molecular mechanics, force fields, chemical educa...Lasīt vairāk
Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity....Lasīt vairāk
Due to recent advancements in the development of numerical algorithms and computational hardware, computer simulations of biological membranes, often requiring use of substantial computational resources, are now reaching a mature stage. Since mole...Lasīt vairāk
Kurt Wuthrich, Bert Weckhuysen, Laurence Rongy, Anne De Wit
(Izdošanas datums: 25-Feb-2021, Hardback, Izdevniecība: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811228209)
Chaired by K Wuthrich (Nobel Laureate in Chemistry, 2002) and co-chaired by B Weckhuysen, this by-invitation-only conference has gathered 39 participants - who are leaders in the field of computational modeling and its applications in Chemistry, Mat...Lasīt vairāk
Kurt Wuthrich, Bert Weckhuysen, Laurence Rongy, Anne De Wit
(Izdošanas datums: 22-Feb-2021, Paperback / softback, Izdevniecība: World Scientific Publishing Co Pte Ltd, ISBN-13: 9789811233692)
The October 2019 conference, held in Brussels, hosted 39 invited participants who are leaders in computational modeling and its application in chemistry, materials sciences, and biology. The 34 papers in the proceedings cover artificial intellige...Lasīt vairāk
Sērija : Theoretical and Computational Chemistry Series
(Izdošanas datums: 10-Dec-2020, Hardback, Izdevniecība: Royal Society of Chemistry, ISBN-13: 9781788014618)
This work will serve as a definitive overview of the field of computational simulation as applied to analytical chemistry and biology, drawing on recent advances as well as describing essential, established theory for graduates and postgraduate resea...Lasīt vairāk
This text traces developments in rational drug discovery and combinatorial library design with contributions from 50 leading scientists in academia and industry who offer coverage of basic principles, design strategies, methodologies, software tools...Lasīt vairāk
This book draws on Mark Mc Auleys wealth of experience to provide an intuitive step-by-step guide to the modelling process. It also provides case studies detailing the creation of biological process models. Mark Mc Auley has over 15 years expe...Lasīt vairāk
Annual Reports in Computational Chemistry, Volume 15, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical...Lasīt vairāk
Computational Chemistry, Volume 73, the latest release in the Advances in Inorganic Chemistry series, presents timely and informative summaries on current progress in a variety of subject areas. This acclaimed serial features...Lasīt vairāk
Annual Reports in Computational Chemistry, Volume 14, provides timely and critical reviews of important topics in computational chemistry. Topics covered in this series include quantum chemistry, molecular mechanics, force fields, chemical...Lasīt vairāk
The powerful and versatile applications of computational chemistry are covered succinctly and clearly in this primer, making it an ideal introduction for those new to the field....Lasīt vairāk
This book treats modeling and simulation in a simple way, that builds on the existing knowledge and intuition of students. They will learn how to build a model and solve it using Excel.Most chemical engineering students feel a shiver down t...Lasīt vairāk
Computational Chemistry Methodology in Structural Biology and Materials Sciences provides a selection of new research in theoretical and experimental chemistry, focusing on topics in the materials science and biological activity....Lasīt vairāk
Annual Reports in Computational Chemistry, Volume 13 provides timely and critical reviews of important topics in computational chemistry. Topics in this new release include chapters on the Quantum Chemical Model for Molecular Properties and...Lasīt vairāk
