224 citations · 654 across the 20 of their papers we have counts for
22 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…
Magnetic Moment Tensor Potentials for collinear spin-polarized materials reproduce different magnetic states of bcc Fe
Ivan Novikov, Blazej Grabowski, Fritz Kormann +1
We present the magnetic Moment Tensor Potentials (mMTPs), a class of machine-learning interatomic potentials, accurately reproducing both vibrational and magnetic degrees of freedo…
Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution
Bohayra Mortazavi, Evgeny P. Podryabinkin, Ivan S. Nvikovb +3
Accurate evaluation of the thermal conductivity of a material can be a challenging task from both experimental and theoretical points of view. In particular for the nanostructured…
The MLIP package: Moment Tensor Potentials with MPI and Active Learning
Ivan S. Novikov, Konstantin Gubaev, Evgeny V. Podryabinkin +1
The subject of this paper is the technology (the "how") of constructing machine-learning interatomic potentials, rather than science (the "what" and "why") of atomistic simulations…
Exploring Phononic Properties of Two-Dimensional Materials using Machine Learning Interatomic Potentials
Bohayra Mortazavi, Ivan S. Novikov, Evgeny V. Podryabinkin +4
Phononic properties are commonly studied by calculating force constants using the density functional theory (DFT) simulations. Although DFT simulations offer accurate estimations o…
Parton Distribution Functions of the Charged Pion Within The xFitter Framework
Ivan Novikov, Hamed Abdolmaleki, Daniel Britzger +9
We present the first open-source analysis of parton distribution functions (PDFs) of charged pions using xFitter, an open-source QCD fit framework to facilitate PDF extraction and…
Ring Polymer Molecular Dynamics and Active Learning of Moment Tensor Potential for Gas-Phase Barrierless Reactions: Application to S + H2
Ivan S. Novikov, Alexander V. Shapeev, Yury V. Suleimanov
Ring polymer molecular dynamics (RPMD) has proven to be an accurate approach for calculating thermal rate coefficients of various chemical reactions. For wider application of this…
Recent QCD results from the xFitter project: Probing the strange content of the proton with charm production in charged current at LHeC
xFitter Developers Team, Hamed Abdolmaleki, Valerio Bertone +11
We investigate charm production in charged-current deep-inelastic scattering (DIS) using the xFitter program. xFitter is an open-source software framework for the determination of…
Forward-Backward Drell-Yan Asymmetry and PDF Determination
H Abdolmaleki, E Accomando, V Bertone +9
We investigate the impact of high-statistics Drell-Yan (DY) measurements at the LHC on the study of non-perturbative QCD effects from parton distribution functions (PDF). We presen…
PDF Profiling Using the Forward-Backward Asymmetry in Neutral Current Drell-Yan Production
Elena Accomando, Juri Fiaschi, Francesco Hautmann +11
Non-perturbative QCD effects from Parton Distribution Functions (PDFs) may be constrained by using high-statistics Large Hadron Collider (LHC) data. Drell-Yan (DY) measurements in…
Probing the strange content of the proton with charm production in charged current at LHeC
xFitter Developers' team, :, Hamed Abdolmaleki +12
We study charm production in charged-current deep-inelastic scattering (DIS) using the xFitter framework. Recent results from the LHC have focused renewed attention on the determin…
Improving accuracy of interatomic potentials: more physics or more data? A case study of silica
Ivan S. Novikov, Alexander V. Shapeev
In this paper we test two strategies to improving the accuracy of machine-learning potentials, namely adding more fitting parameters thus making use of large volumes of available q…
Automated Calculation of Thermal Rate Coefficients using Ring Polymer Molecular Dynamics and Machine-Learning Interatomic Potentials with Active Learning
Ivan S. Novikov, Yury V. Suleimanov, Alexander V. Shapeev
We propose a methodology for fully automated calculation of thermal rate coefficients of gas phase chemical reactions, which is based on combining the ring polymer molecular dynami…
Complete Glauber calculations of reaction and interaction cross sections in light ion collisions
I. S. Novikov, Yu. Shabelski
We calculate the differences between reaction and interaction cross sections in the collisions of relativistic light ions with in the framework of Glauber theory. Alt…
Nuclear Radii of Unstable Nuclei
G. D. Alkhazov, I. S. Novikov, Yu. Shabelski
In the presented review we discuss the problem of extraction the parameters of nuclear matter and charge distribution in stable and unstable isotopes. A substantial amount of infor…
Nuclear Radii Calculations in Various Theoretical Approaches for Nucleus-Nucleus Interactions
C. Merino, I. S. Novikov, Yu. M. Shabelski
The information about sizes and nuclear density distributions in unstable (radioactive) nuclei is usually extracted from the data on interaction of radioactive nuclear beams with a…
P- and T-violation Tests with Polarized Resonance Neutrons
V. Bunakov, Y. Novikov
The enhancements of CP-violating effects in resonance neutron transmissionthrough polarized targets are studied for 2 possible versions of experiment. The importance is stressed of…