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230911 ||| eng |
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|a 9783031348396
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| 100 |
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|a Kamberaj, Hiqmet
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| 245 |
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|a Computer Simulations in Molecular Biology
|h Elektronische Ressource
|c by Hiqmet Kamberaj
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| 250 |
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|a 1st ed. 2023
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| 260 |
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|a Cham
|b Springer Nature Switzerland
|c 2023, 2023
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| 300 |
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|a XIII, 298 p. 122 illus., 102 illus. in color
|b online resource
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| 505 |
0 |
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|a 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
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| 653 |
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|a Physics and Astronomy
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| 653 |
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|a Computer simulation
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| 653 |
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|a Computer Modelling
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| 653 |
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|a Quantum Simulations
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| 653 |
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|a Quantum physics
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| 653 |
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|a Molecular Dynamics
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| 653 |
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|a Physics
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| 653 |
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|a Molecular dynamics
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| 653 |
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|a Biophysics
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| 653 |
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|a Astronomy
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| 041 |
0 |
7 |
|a eng
|2 ISO 639-2
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| 989 |
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|b Springer
|a Springer eBooks 2005-
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| 490 |
0 |
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|a Scientific Computation
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| 028 |
5 |
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|a 10.1007/978-3-031-34839-6
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| 856 |
4 |
0 |
|u https://doi.org/10.1007/978-3-031-34839-6?nosfx=y
|x Verlag
|3 Volltext
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| 082 |
0 |
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|a 571.4
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| 520 |
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|a 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
|