Variational methods in molecular modeling

DOI10.1007/978-981-10-2502-0MaRDI QIDQ2956496zbMATH OpenOpenAlexFDO

Authors

Publication date 17 January 2017

Published in Molecular Modeling and Simulation (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/978-981-10-2502-0

zbMATH Keywords

Gibbs-Bogoliubov-Feynman variational principleGinzburg-Landau and Helfrich-type phenomenological modelsphase-field methodsself-consistent-field theoriessquare-gradient models

Mathematics Subject Classification ID

Collections of articles of miscellaneous specific interest (00B15) Proceedings, conferences, collections, etc. pertaining to biology (92-06) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Recommendations

• Mathematical methods in quantum chemistry. An introduction
• Molecular modeling and simulation. An interdisciplinary guide
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• Variational methods with applications in science and engineering
• Introduction to first-principle simulation of molecular systems

Cited in

(4)

• How to place an obstacle having a dihedral symmetry inside a disk so as to optimize the fundamental Dirichlet eigenvalue
• On variational approximations in quantum molecular dynamics
• Two geometric lemmas for \(\mathcal{S}^{N -1}\)-valued maps and an application to the homogenization of spin systems
• Stochastic dynamics and thermodynamics around a metastable state based on the linear Dean–Kawasaki equation

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