scientific article; zbMATH DE number 5057543
Computational chemistrydensity functional theoryelliptic partial differential equationsgeometric integrationHamiltonian dynamicsHartree-Fock theoryMarkov chainsmolecular dynamicsmolecular simulationMonte Carlo techniquesnonlinear eigenvalue problemsoptimizationreduced basis methodsSchrödinger equationssparse gridsspectral methodsspectral theorystochastic differential equationssymplectic methodsThomas-Fermi theory
Research exposition (monographs, survey articles) pertaining to partial differential equations (35-02) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10)
- Problématiques numériques pour la simulation moléculaire
- Molecular simulation and related topics: some open mathematical problems
- scientific article; zbMATH DE number 1984950
- scientific article; zbMATH DE number 5171040
- scientific article; zbMATH DE number 1082719
- scientific article; zbMATH DE number 2050854
- Computational chemistry from the perspective of numerical analysis
- Molecular dynamics. With deterministic and stochastic numerical methods
- scientific article; zbMATH DE number 953088
- scientific article; zbMATH DE number 1595160
- Handbook of Numerical Analysis X. Special volume: Computational chemistry.
- On the mathematical justification of experimental and computer physics
- Computational chemistry from the perspective of numerical analysis
- Molecular simulation and related topics: some open mathematical problems
- A Conjecture about Molecular Dynamics
- scientific article; zbMATH DE number 1222750 (Why is no real title available?)
- scientific article; zbMATH DE number 978430 (Why is no real title available?)
- Introduction to first-principle simulation of molecular systems
- scientific article; zbMATH DE number 2176249 (Why is no real title available?)
- scientific article; zbMATH DE number 5171040 (Why is no real title available?)
- From quantum to classical molecular dynamics: Reduced models and numerical analysis.
This page was built for publication:
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q5491045)
