UID:
almafu_9961235460302883
Umfang:
1 online resource (XIII, 298 p. 122 illus., 102 illus. in color.)
Ausgabe:
First edition.
ISBN:
3-031-34839-7
Serie:
Scientific Computation Series
Inhalt:
This book covers a range of topics in quantum mechanics and molecular dynamics simulation, including computational modeling and machine learning approaches. The book also provides a Python GUI and tutorials for simulating molecular biological systems and presents case studies of quantum mechanics simulations for predicting electronic properties. Its pedagogical formatting makes it easy for students to understand and follow and has been praised for providing clear and detailed explanations of complex topics. This book is ideal for graduate students and researchers in theoretical and computational biophysics, physics, chemistry, and materials science, as well as postgraduates in applied mathematics, computer science, and bioinformatics.
Anmerkung:
Quantum Mechanics Molecular Dynamics in Simulations -- Basis Set Functions -- Semi-Empirical Quantum Mechanics Molecular Dynamics -- Machine Learning Quantum Mechanics Molecular Dynamics -- Quantum Mechanics Simulations Package.
Weitere Ausg.:
ISBN 9783031348389
Sprache:
Englisch
DOI:
10.1007/978-3-031-34839-6
