39 citations · 69 across the 4 of their papers we have counts for
4 papers
Best-practice aspects of quantum-computer calculations: A case study of hydrogen molecule
Ivana Miháliková, Martin Friák, Matej Pivoluska +3
Quantum computers are reaching one crucial milestone after another. Motivated by their progress in quantum chemistry, we have performed an extensive series of simulations of quantu…
The Cost of Improving the Precision of the Variational Quantum Eigensolver for Quantum Chemistry
Ivana Miháliková, Matej Pivoluska, Martin Plesch +3
Quantum computing brings a promise of new approaches into computational quantum chemistry. While universal, fault-tolerant quantum computers are still not available, we want to uti…
Point-defect engineering of MoN/TaN superlattice films: A first-principles and experimental study
Nikola Koutná, Rainer Hahn, Jakub Zálešák +6
Superlattice architecture represents an effective strategy to improve performance of hard protective coatings. Our model system, MoN/TaN, combines materials well-known for their hi…
Stability and elasticity of metastable solid solutions and superlattices in the MoN-TaN system: a first-principles study
Nikola Koutná, David Holec, Martin Friák +2
Employing ab initio calculations, we discuss chemical, mechanical, and dynamical stability of MoN-TaN solid solutions together with cubic-like MoN/TaN superlattices, as another mat…