Alexander V. Shapeev

21 papers Journal 20Unranked 1
YearRankTypeTitle / Venue / Authors
2026 J jnl
Global Optimization of Atomic Clusters via Physically-Constrained Tensor Train Decomposition.
CoRR
Konstantin Sozykin, Nikita Rybin, Andrei Chertkov, Anh Huy Phan, Ivan V. Oseledets, Alexander V. Shapeev, Ivan Novikov, Gleb V. Ryzhakov
2026 J jnl
Path-integral molecular dynamics with actively-trained and universal machine learning force fields.
Comput. Phys. Commun.
A. A. Solovykh, N. E. Rybin, Ivan S. Novikov, Alexander V. Shapeev
2025 J jnl
Path-integral molecular dynamics with actively-trained and universal machine learning force fields.
CoRR
A. A. Solovykh, N. E. Rybin, Ivan S. Novikov, Alexander V. Shapeev
2024 J jnl
Equivariant tensor network potentials.
Mach. Learn. Sci. Technol.
Max Hodapp, Alexander V. Shapeev
2021 J jnl
Accelerating first-principles estimation of thermal conductivity by machine-learning interatomic potentials: A MTP/ShengBTE solution.
Comput. Phys. Commun.
Bohayra Mortazavi, Evgeny V. Podryabinkin, Ivan S. Novikov, Timon Rabczuk, Xiaoying Zhuang, Alexander V. Shapeev
2021 J jnl
The MLIP package: moment tensor potentials with MPI and active learning.
Mach. Learn. Sci. Technol.
Ivan S. Novikov, Konstantin Gubaev, Evgeny V. Podryabinkin, Alexander V. Shapeev
2020 J jnl
In operando active learning of interatomic interaction during large-scale simulations.
Mach. Learn. Sci. Technol.
Max Hodapp, Alexander V. Shapeev
2017 J jnl
Approximation of Crystalline Defects at Finite Temperature.
Multiscale Model. Simul.
Alexander V. Shapeev, Mitchell Luskin
2016 J jnl
An Optimization Based Coupling Method for Multiscale Problems.
Multiscale Model. Simul.
Assyr Abdulle, Orane Jecker, Alexander V. Shapeev
2016 J jnl
Analysis of blended atomistic/continuum hybrid methods.
Numerische Mathematik
Xingjie Helen Li, Christoph Ortner, Alexander V. Shapeev, Brian Van Koten
2016 J jnl
Moment Tensor Potentials: A Class of Systematically Improvable Interatomic Potentials.
Multiscale Model. Simul.
Alexander V. Shapeev
2014 J jnl
(In-)stability and Stabilization of QNL-Type Atomistic-to-Continuum Coupling Methods.
Multiscale Model. Simul.
Christoph Ortner, Alexander V. Shapeev, Lei Zhang
2014 J jnl
An Optimization-based Atomistic-to-Continuum Coupling Method.
SIAM J. Numer. Anal.
Derek Olson, Pavel B. Bochev, Mitchell Luskin, Alexander V. Shapeev
2013 J jnl
A Priori and A Posteriori W
SIAM J. Numer. Anal.
Assyr Abdulle, Ping Lin, Alexander V. Shapeev
2013 J jnl
Analysis of an energy-based atomistic/continuum approximation of a vacancy in the 2D triangular lattice.
Math. Comput.
Christoph Ortner, Alexander V. Shapeev
2013 — conf
Development of an Optimization-Based Atomistic-to-Continuum Coupling Method.
LSSC
Derek Olson, Pavel B. Bochev, Mitchell Luskin, Alexander V. Shapeev
2012 J jnl
Consistent Energy-Based Atomistic/Continuum Coupling for Two-Body Potentials in Three Dimensions.
SIAM J. Sci. Comput.
Alexander V. Shapeev
2012 J jnl
Numerical Methods for Multilattices.
Multiscale Model. Simul.
Assyr Abdulle, Ping Lin, Alexander V. Shapeev
2012 J jnl
The Spectrum of the Force-Based Quasicontinuum Operator for a Homogeneous Periodic Chain.
Multiscale Model. Simul.
Matthew Dobson, Christoph Ortner, Alexander V. Shapeev
2011 J jnl
Consistent Energy-Based Atomistic/Continuum Coupling for Two-Body Potentials in One and Two Dimensions.
Multiscale Model. Simul.
Alexander V. Shapeev
2009 J jnl
An Asymptotic Fitting Finite Element Method with Exponential Mesh Refinement for Accurate Computation of Corner Eddies in Viscous Flows.
SIAM J. Sci. Comput.
Alexander V. Shapeev, Ping Lin