33 citations
- Charles UniversityCZ8 papers
- Boston UniversityUS2 papers
- Centre National de la Recherche ScientifiqueFR2 papers
- Czech Academy of Sciences, Heyrovsky InstituteCZ2 papers
- Aix-Marseille UniversitéFR1 paper
- CEA Paris-SaclayFR1 paper
- Commissariat à l'Énergie Atomique et aux Énergies AlternativesFR1 paper
- Czech Academy of Sciences, Institute of Organic Chemistry and BiochemistryCZ1 paper
- Czech Academy of Sciences, Institute of Photonics and ElectronicsCZ1 paper
- DWI – Leibniz Institute for Interactive MaterialsDE1 paper
- Hungarian Academy of SciencesHU1 paper
- HUN-REN Wigner Research Centre for PhysicsHU1 paper
12 papers
A Simple and Scalable Kernel Density Approach for Reliable Uncertainty Quantification in Atomistic Machine Learning
Daniel Willimetz, Lukáš Grajciar
Machine learning models are increasingly used to predict material properties and accelerate atomistic simulations, but the reliability of their predictions depends on the represent…
Inertia Tames Fluctuations in Autonomous Stationary Heat Engines
Enrique P. Cital, Viktor Holubec
Thermodynamic uncertainty relations (TURs) provide fundamental constraints on the interplay between power fluctuations, entropy production, and efficiency in overdamped stationary…
LOMS.cz: A computational platform for high-throughput Classical and Combinatorial Judd-Ofelt analysis and rare-earth spectroscopy
Jan Hrabovský, Petr Vařák, Robin Kryštůfek
We present LOMS.cz (Luminescence, Optical and Magneto-optical Software), an open-source computational platform that addresses the long-standing challenge of standardizing Judd-Ofel…
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
Jakub Martinka, Lina Zhang, Yi-Fan Hou +4
Nonadiabatic couplings (NACs) play a crucial role in modeling photochemical and photophysical processes with methods such as the widely used fewest-switches surface hopping (FSSH).…
Impact of Acid Hydrolysis on Morphology, Rheology, Mechanical Properties, and Processing of Thermoplastic Starch
Saffana Kouka, Veronika Gajdosova, Beata Strachota +4
We modified native wheat starch using 15, 30, and 60 min of acid hydrolysis (AH). The non-modified and AH-modified starches were converted to highly-homogeneous thermo-plastic star…
Comparison of various UHMWPE formulations from contemporary total knee replacements before and after accelerated aging
Petr Fulin, Veronika Gajdosova, Ivana Sloufova +3
We have collected 21 different formulations of ultrahigh molecular weight polyethylene (UHMWPE), which have been employed as liners in contemporary total knee replacements (TKR). T…