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Person
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Person
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Mgr. Jiří Klimeš Ph.D.
Academic staff at Faculty of Mathematics and Physics
2 classes
27 publications
Classes
class
Ab-initio methods for periodic systems
NBCM173 |
Faculty of Mathematics and Physics
class
Principles of Physics III - Quantum Mechanics
NBCM241 |
Faculty of Mathematics and Physics
Publications
publication
Assessment of random phase approximation with different exchange-correlation functionals for description of binding energies of molecular solids
2023 |
Faculty of Mathematics and Physics
publication
Assessment of random phase approximation and second-order Moller-Plesset perturbation theory for many-body interactions in solid ethane, ethylene, and acetylene
2023 |
Faculty of Mathematics and Physics
publication
Understanding the wetting of transition metal dichalcogenides from an ab initio perspective
2023 |
Faculty of Mathematics and Physics
publication
Using Noncovalent Interactions to Test the Precision of Projector-Augmented Wave Data Sets
2023 |
Faculty of Mathematics and Physics
publication
Magnetically Induced Binary Ferrocene with Oxidized Iron
2023 |
Faculty of Mathematics and Physics
publication
NMR Crystallography of Monovalent Cations in Inorganic Matrices: Na+ Siting and the Local Structure of Na+ Sites in Ferrierites
2022 |
Faculty of Mathematics and Physics
publication
The potential of dispersion-corrected density functional theory calculations for distinguishing between salts and cocrystals
2022 |
Faculty of Mathematics and Physics
publication
Reaching high precision of binding energies in molecular solids using quantum chemistry methods
2021 |
Faculty of Mathematics and Physics
publication
Random-Phase Approximation in Many-Body Noncovalent Systems: Methane in a Dodecahedral Water Cage
2021 |
Faculty of Mathematics and Physics
publication
Insights on hydrogen bond assisted solvent selection in certain acid-base heterogeneous catalysis through acceptor and donor numbers
2021 |
Faculty of Mathematics and Physics
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