Markéta Stachová obhájila bakalářskou práci
Téma: Adsorpce atomů a malých molekul na grafen
Článek Matúše Dubeckého přijat v J. Chem. Theory Comput.
Toward Accurate Hydrogen Bonds by Scalable Quantum Monte Carlo (ACS) Matúš Dubecký; Petr Jurečka; Lubos Mitas; Matej Ditte; Roman Fanta Abstract Single-determinant (SD) fixed-node diffusion Monte Carlo (FNDMC) gains popularity as a benchmark method scalable to large noncovalent systems, although its accuracy limits are not yet fully mapped out. We report on an interesting example…
Časopis Phys. Chem. Chem. Phys. přijal článek studenta M. Kolose
Accurate many-body calculation of electronic and optical band gap of bulk hexagonal boron nitride (RSC) Miroslav Kolos and František Karlický Abstract Many-body perturbational GW approximation in conjunction with the Bethe–Salpeter equation (BSE) has been employed to calculate accurate electronic and optical band gaps of bulk hexagonal boron nitride (h-BN) in the two most important stacking…
