exercises:common:reading_list
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exercises:common:reading_list [2023/12/05 12:42] – [Papers] fnunes | exercises:common:reading_list [2023/12/05 13:43] (current) – [Papers] fnunes | ||
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* Statistical Mechanics: Theory and Molecular Simulation, Mark E. Tuckerman | * Statistical Mechanics: Theory and Molecular Simulation, Mark E. Tuckerman | ||
- | * Ab Initio Molecular Dynamics Basic Theory and Advanced Methods, Dominik Marx, Jürg Hutter | + | * Ab Initio Molecular Dynamics Basic Theory and Advanced Methods, Dominik Marx and Jürg Hutter |
* Time-Dependent Density-Functional Theory: Concepts and Applications, | * Time-Dependent Density-Functional Theory: Concepts and Applications, | ||
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* CPMD: Unified Approach for Molecular Dynamics and Density-Functional Theory, Roberto Car and Michele Parrinello (DOI: https:// | * CPMD: Unified Approach for Molecular Dynamics and Density-Functional Theory, Roberto Car and Michele Parrinello (DOI: https:// | ||
- | * Metadynamics: Escaping free-energy minima, Alessandro Laio and Michele Parrinello (DOI: https:// | + | * Metadynamics: Escaping free-energy minima, Alessandro Laio and Michele Parrinello (DOI: https:// |
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+ | * Real-time methods: Real-Time Time-Dependent Electronic Structure Theory, Xiaosong Li, Niranjan Govind, Christine Isborn, A. Eugene DePrince III, and Kenneth Lopata (DOI: https:// | ||
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Electronic Structure: | Electronic Structure: | ||
+ | * GPW: A hybrid Gaussian and plane wave density functional scheme, Gerald Lippert, Jürg Hutter, and Michele Parrinello (DOI: https:// | ||
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+ | * GAPW: The Gaussian and augmented-plane-wave density functional method for ab initio molecular dynamics simulations, | ||
* PBE:Generalized Gradient Approximation Made Simple, John P. Perdew, Kieron Burke, and Matthias Ernzerhof (DOI: https:// | * PBE:Generalized Gradient Approximation Made Simple, John P. Perdew, Kieron Burke, and Matthias Ernzerhof (DOI: https:// |
exercises/common/reading_list.1701780135.txt.gz · Last modified: 2023/12/05 12:42 by fnunes