Markéta Stachová defended Bc. thesis
Adsorption atoms and small molecules on graphene
Matúš Dubecký paper accepted to JCTC
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…
Paper from Miroslav Kolos accepted to PCCP
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…
Bc. Thesis defended by Xenie Valušáková
Topic: Computer design of layered heterostructures for solar cells