Molecular Dynamics Probability And Uncertainty
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Molecular Dynamics Probability And Uncertainty
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Author : Peter V. Coveney
language : en
Publisher: Oxford University Press
Release Date : 2025-05-15
Molecular Dynamics Probability And Uncertainty written by Peter V. Coveney and has been published by Oxford University Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-15 with Science categories.
Embark on a fascinating exploration of molecular dynamics, which combines the authors' new probabilistic interpretation with cutting-edge simulations, some of which are performed on the largest supercomputers on our planet. From fundamental principles to innovative applications, this book covers the rich tapestry of molecular dynamics and its intersections with biological and medical sciences, materials science and engineering, and artificial intelligence, alongside uncertainty quantification. This enables the authors to highlight the critical role of molecular dynamics in delivering actionable outcomes for drug discovery, materials design and beyond. Beginning with a solid introduction to the intricate world of molecular dynamics, the book goes on to describe its modern probabilistic formulation. It investigates ensemble-based molecular dynamics simulations and free energies, uncovering both the way that ensemble techniques revolutionize simulation methodologies and how they empower researchers to generate new insights. Further, the book explores the exciting realm of simulations for advanced materials and discusses verification, validation and uncertainty quantification, illuminating the synergies between molecular dynamics and artificial intelligence and their potential for transformative breakthroughs. Whether you are a seasoned researcher seeking to expand your knowledge or a curious student eager to investigate the complexities of molecular dynamics, this book serves as an indispensable resource, challenging conventional approaches, offering fresh perspectives and unlocking new insights into real-world problems in this captivating field.
Molecular Dynamics Probability And Uncertainty
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Author : Peter V. Coveney
language : en
Publisher:
Release Date : 2025-05-15
Molecular Dynamics Probability And Uncertainty written by Peter V. Coveney and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2025-05-15 with Computers categories.
Dive into the captivating realm of molecular dynamics with this comprehensive guide, offering a unique blend of classic techniques and cutting-edge probabilistic formulations. In this insightful journey, we explore the fundamental principles, advanced applications, and emerging frontiers shaping the field today.
Uncertainty Quantification And Model Calibration
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Author : Jan Peter Hessling
language : en
Publisher: BoD – Books on Demand
Release Date : 2017-07-05
Uncertainty Quantification And Model Calibration written by Jan Peter Hessling and has been published by BoD – Books on Demand this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-07-05 with Computers categories.
Uncertainty quantification may appear daunting for practitioners due to its inherent complexity but can be intriguing and rewarding for anyone with mathematical ambitions and genuine concern for modeling quality. Uncertainty quantification is what remains to be done when too much credibility has been invested in deterministic analyses and unwarranted assumptions. Model calibration describes the inverse operation targeting optimal prediction and refers to inference of best uncertain model estimates from experimental calibration data. The limited applicability of most state-of-the-art approaches to many of the large and complex calculations made today makes uncertainty quantification and model calibration major topics open for debate, with rapidly growing interest from both science and technology, addressing subtle questions such as credible predictions of climate heating.
Parameter Estimation And Uncertainty Quantification In Water Resources Modeling
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Author : Philippe Renard
language : en
Publisher: Frontiers Media SA
Release Date : 2020-04-22
Parameter Estimation And Uncertainty Quantification In Water Resources Modeling written by Philippe Renard and has been published by Frontiers Media SA this book supported file pdf, txt, epub, kindle and other format this book has been release on 2020-04-22 with categories.
Numerical models of flow and transport processes are heavily employed in the fields of surface, soil, and groundwater hydrology. They are used to interpret field observations, analyze complex and coupled processes, or to support decision making related to large societal issues such as the water-energy nexus or sustainable water management and food production. Parameter estimation and uncertainty quantification are two key features of modern science-based predictions. When applied to water resources, these tasks must cope with many degrees of freedom and large datasets. Both are challenging and require novel theoretical and computational approaches to handle complex models with large number of unknown parameters.
Uncertainty Quantification
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Author : Christian Soize
language : en
Publisher: Springer
Release Date : 2017-04-24
Uncertainty Quantification written by Christian Soize and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2017-04-24 with Computers categories.
This book presents the fundamental notions and advanced mathematical tools in the stochastic modeling of uncertainties and their quantification for large-scale computational models in sciences and engineering. In particular, it focuses in parametric uncertainties, and non-parametric uncertainties with applications from the structural dynamics and vibroacoustics of complex mechanical systems, from micromechanics and multiscale mechanics of heterogeneous materials. Resulting from a course developed by the author, the book begins with a description of the fundamental mathematical tools of probability and statistics that are directly useful for uncertainty quantification. It proceeds with a well carried out description of some basic and advanced methods for constructing stochastic models of uncertainties, paying particular attention to the problem of calibrating and identifying a stochastic model of uncertainty when experimental data is available. This book is intended to be a graduate-level textbook for students as well as professionals interested in the theory, computation, and applications of risk and prediction in science and engineering fields.
Nonlinear Dynamics And Statistics
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Author : Alistair I. Mees
language : en
Publisher: Springer Science & Business Media
Release Date : 2001-01-25
Nonlinear Dynamics And Statistics written by Alistair I. Mees 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 2001-01-25 with Business & Economics categories.
This book describes the state of the art in nonlinear dynamical reconstruction theory. The chapters are based upon a workshop held at the Isaac Newton Institute, Cambridge University, UK, in late 1998. The book's chapters present theory and methods topics by leading researchers in applied and theoretical nonlinear dynamics, statistics, probability, and systems theory. Features and topics: * disentangling uncertainty and error: the predictability of nonlinear systems * achieving good nonlinear models * delay reconstructions: dynamics vs. statistics * introduction to Monte Carlo Methods for Bayesian Data Analysis * latest results in extracting dynamical behavior via Markov Models * data compression, dynamics and stationarity Professionals, researchers, and advanced graduates in nonlinear dynamics, probability, optimization, and systems theory will find the book a useful resource and guide to current developments in the subject.
The Art Of Molecular Dynamics Simulation
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Author : D. C. Rapaport
language : en
Publisher: Cambridge University Press
Release Date : 2004-04
The Art Of Molecular Dynamics Simulation written by D. C. Rapaport 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 2004-04 with Science categories.
First time paperback of successful physics monograph. Copyright © Libri GmbH. All rights reserved.
6thinternational Engineering And Technology Management Summit 2024
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Author : BAŞKENT ÜNİVERSİTESİ
language : en
Publisher: 3D YAYINEVİ
Release Date : 2024-12-27
6thinternational Engineering And Technology Management Summit 2024 written by BAŞKENT ÜNİVERSİTESİ and has been published by 3D YAYINEVİ this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-12-27 with Technology & Engineering categories.
The 6th INTERNATIONAL ENGINEERING AND TECHNOLOGY MANAGEMENT SUMMIT (ETMS 2024), organized by Başkent University, was held in Ankara, Türkiye, from October 17-19, 2024. This year’s theme, “Engineering and Technology Management in Defense Industry,” provided a critical platform for discussing the challenges and opportunities in this rapidly evolving field. ETMS 2024 brought together researchers, professionals, and industry leaders to explore topics such as advanced weapon systems, surveillance technologies, and strategic infrastructure management. The summit examined the societal and environmental impacts of defense technologies while fostering innovative strategies to address emerging global security challenges. The event featured insightful keynote presentations, including: Prof. Beata Mrugalska (Poznan University of Technology, Poland), who discussed “Human Perspective on Sustainable Logistics 4.0: Trends, Challenges, Methods, and Best Practices.” Prof. Dr. Tuğrul Daim (Portland State University, USA), who explored “Policies for Emerging Technologies.” Prof. Dr. Markus A. Launer (Ostfalia University of Applied Sciences, Germany), who presented on “International Technology Management.” These distinguished speakers, alongside other esteemed participants, contributed to a vibrant exchange of ideas, addressing the evolving role of engineering and technology management in the defense sector. We extend our heartfelt gratitude to all contributors, including keynote and invited speakers, authors, session chairs, and the organizing committee, for their dedication to making ETMS 2024 a resounding success. This proceedings book includes the abstracts and extended abstracts presented at the summit, reflecting the diverse expertise and innovative approaches shared during the event. We hope it serves as a valuable resource for all those interested in advancing the fields of engineering and technology management.
Proceedings Of The 2nd World Congress On Integrated Computational Materials Engineering Icme
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Author : Mei Li
language : en
Publisher: Springer
Release Date : 2016-12-19
Proceedings Of The 2nd World Congress On Integrated Computational Materials Engineering Icme written by Mei Li and has been published by Springer this book supported file pdf, txt, epub, kindle and other format this book has been release on 2016-12-19 with Technology & Engineering categories.
This book represents a collection of papers presented at the 2nd World Congress on Integrated Computational Materials Engineering (ICME), a specialty conference organized by The Minerals, Metals & Materials Society (TMS).
Sensitivity Uncertainty Analysis Volume 1
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Author : Dan G. Cacuci
language : en
Publisher: CRC Press
Release Date : 2003-05-28
Sensitivity Uncertainty Analysis Volume 1 written by Dan G. Cacuci and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2003-05-28 with Mathematics categories.
As computer-assisted modeling and analysis of physical processes have continued to grow and diversify, sensitivity and uncertainty analyses have become indispensable investigative scientific tools in their own right. While most techniques used for these analyses are well documented, there has yet to appear a systematic treatment of the method based