25 citations · 67 across the 4 of their papers we have counts for
4 papers
TurboGenius: Python suite for high-throughput calculations of ab initio quantum Monte Carlo methods
Kousuke Nakano, Oto Kohulák, Abhishek Raghav +2
TurboGenius is an open-source Python package designed to fully control ab initio quantum Monte Carlo (QMC) jobs using a Python script, which allows one to perform high-throughput c…
Structural evolution of amorphous polymeric nitrogen from \textit{ab initio} molecular dynamics simulations and evolutionary search
Dominika Melicherová, Oto Kohulák, Dušan Plašienka +1
Polymeric nitrogen with single bonds can be created from the molecular form at high pressure and due to large energy difference between triple and single bonds it is interesting as…
New High-Pressure Phases of MoSe and MoTe
Oto Kohulák, Roman Martoňák
Three Mo-based transition metal dichalcogenides MoS, MoSe and MoTe share at ambient conditions the same structure 2H, consisting of layers where Mo atoms are surrou…
High Pressure Structure and Decomposition of MoS
Oto Kohulák, Roman Martoňák, Erio Tosatti
The high pressure structural and electronic evolution of bulk MoS, an important transition metal layered dichalchogenide, is currently under active investigation. Recent theore…