7 citations · 8 across the 10 of their papers we have counts for
Showing 2024Show all
2 papers · 1 filter
cond-mat.mtrl-sci2024
Accelerating global search of adsorbate molecule position using machine-learning interatomic potentials with active learning
Olga Klimanova, Nikita Rybin, Alexander Shapeev
We present an algorithm for accelerating the search of molecule's adsorption site based on global optimization of surface adsorbate geometries. Our approach uses a machine-learning…
cond-mat.mtrl-sci2024
Thermophysical Properties of Molten FLiNaK: a Moment Tensor Potential Approach
Rybin Nikita, Dmitrii Maksimov, Yuriy Zaikov +1
Fluoride salts demonstrate significant potential for applications in next-generation nuclear reactors, necessitating a comprehensive understanding of their thermophysical propertie…