Matous Mrovec

Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon

Yury Lysogorskiy, Cas van der Oord, Anton Bochkarev et al. · npj Computational Materials · 2021 · 225 citations · Full text

Engineering, Performant Implementation, Material Simulation +18

First-principles investigation of hydrogen trapping and diffusion at grain boundaries in nickel

Davide Di Stefano, Matous Mrovec, Christian Elsässer · Acta Materialia · 2015 · 177 citations · Full text

Materials Science, Grain Boundaries, Engineering +8

First-principles investigation of hydrogen interaction with TiC precipitates in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>α</mml:mi></mml:math>-Fe

Davide Di Stefano, Roman Nazarov, Tilmann Hickel et al. · Physical review. B./Physical review. B · 2016 · 171 citations · Full text

Materials Engineering, Materials Science, Chemical Engineering +14

Bond-order potential for molybdenum: Application to dislocation behavior

Matous Mrovec, D. Nguyen-Manh, D. G. Pettifor et al. · Physical Review B · 2004 · 146 citations

Engineering, Computational Chemistry, Chemistry +17

Bond-order potential for simulations of extended defects in tungsten

Matous Mrovec, Roman Gröger, Aimee Gotway Bailey et al. · Physical Review B · 2007 · 141 citations · Full text

Engineering, Computational Chemistry, Bond-order Potentials +16