224 citations · 403 across the 10 of their papers we have counts for
19 papers
MLIP-3: Active learning on atomic environments with Moment Tensor Potentials
Evgeny Podryabinkin, Kamil Garifullin, Alexander Shapeev +1
Nowadays, academic research relies not only on sharing with the academic community the scientific results obtained by research groups while studying certain phenomena, but also on…
The photon energy spectrum in at NLL
Bahman Dehnadi, Ivan Novikov, Frank J. Tackmann
We present predictions for the photon energy spectrum in inclusive decays mediated by the electromagnetic penguin operator to NLL. We use soft-collinear ef…
AI-accelerated Materials Informatics Method for the Discovery of Ductile Alloys
Ivan Novikov, Olga Kovalyova, Alexander Shapeev +1
In computational materials science, a common means for predicting macroscopic (e.g., mechanical) properties of an alloy is to define a model using combinations of descriptors that…
xFitter: An Open Source QCD Analysis Framework. A resource and reference document for the Snowmass study
The xFitter Developers' Team, :, H. Abdolmaleki +21
We provide an overview of the xFitter open-source software package, review the general capabilities of the program, and highlight applications relevant to the Snowmass study. An up…
Towards reliable calculations of thermal rate constants: ring polymer molecular dynamics for the OH + HBr Br + HO reaction
Ivan S. Novikov, Edgar M. Makarov, Alexander V. Shapeev +1
We combined Moment Tensor Potential (MTP) and Ring Polymer Molecular Dynamics (RPMD) for calculating the thermal rate constants of the OH + HBr system. We used the active learning…
Assessing Parameters for Ring Polymer Molecular Dynamics Simulations at Low Temperatures: DH+H Chemical Reaction
Ivan S. Novikov, Yury V. Suleimanov, Alexander V. Shapeev
Ring polymer molecular dynamics (RPMD) is an accurate method for calculating thermal chemical reaction rates. It has recently been discovered that low-temperature calculations are…