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.
Les mer
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.
Les mer
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.
Les mer
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.
Les mer
Includes comprehensive summary of quantum mechanical molecular dynamics and computational techniques related to it Provides pedagogical tutorials and sample algorithms for performing simulations and analyzing the data Targets broad range of fields from biophysics to material science
Les mer
Produktdetaljer
ISBN
9783031348419
Publisert
2024-08-02
Utgiver
Vendor
Springer International Publishing AG
Høyde
235 mm
Bredde
155 mm
Aldersnivå
Graduate, P, 06
Språk
Product language
Engelsk
Format
Product format
Heftet
Forfatter