The Gaussian Approximation Potential

An Interatomic Potential Derived from First Principles Quantum Mechanics

Nonfiction, Science & Nature, Science, Biological Sciences, Molecular Physics, Physics, Quantum Theory
Cover of the book The Gaussian Approximation Potential by Albert Bartók-Pártay, Springer Berlin Heidelberg
View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart
Author: Albert Bartók-Pártay ISBN: 9783642140679
Publisher: Springer Berlin Heidelberg Publication: July 27, 2010
Imprint: Springer Language: English
Author: Albert Bartók-Pártay
ISBN: 9783642140679
Publisher: Springer Berlin Heidelberg
Publication: July 27, 2010
Imprint: Springer
Language: English

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

View on Amazon View on AbeBooks View on Kobo View on B.Depository View on eBay View on Walmart

Simulation of materials at the atomistic level is an important tool in studying microscopic structures and processes. The atomic interactions necessary for the simulations are correctly described by Quantum Mechanics, but the size of systems and the length of processes that can be modelled are still limited. The framework of Gaussian Approximation Potentials that is developed in this thesis allows us to generate interatomic potentials automatically, based on quantum mechanical data. The resulting potentials offer several orders of magnitude faster computations, while maintaining quantum mechanical accuracy. The method has already been successfully applied for semiconductors and metals.

More books from Springer Berlin Heidelberg

Cover of the book Intellectual Property and Development by Albert Bartók-Pártay
Cover of the book Coabsorbent and Thermal Recovery Compression Heat Pumping Technologies by Albert Bartók-Pártay
Cover of the book Sander/Müller, Meine Zahnarztpraxis – Ökonomie by Albert Bartók-Pártay
Cover of the book Organizational Epistemology by Albert Bartók-Pártay
Cover of the book Fundamentals of Software Engineering by Albert Bartók-Pártay
Cover of the book Plastic and Reconstructive Breast Surgery by Albert Bartók-Pártay
Cover of the book Nervenchirurgie by Albert Bartók-Pártay
Cover of the book The Nuclear Envelope in Freeze-Etching by Albert Bartók-Pártay
Cover of the book Conservation Science for the Cultural Heritage by Albert Bartók-Pártay
Cover of the book Die Biotechnologie-Industrie by Albert Bartók-Pártay
Cover of the book Complex Analysis by Albert Bartók-Pártay
Cover of the book Spatial Econometrics by Albert Bartók-Pártay
Cover of the book Thermodynamik für das Bachelorstudium by Albert Bartók-Pártay
Cover of the book Chemosensitivity Testing in Oncology by Albert Bartók-Pártay
Cover of the book AIDS-Related Neoplasias by Albert Bartók-Pártay
We use our own "cookies" and third party cookies to improve services and to see statistical information. By using this website, you agree to our Privacy Policy