Ivan Maliyov

California Institute of Technology — United States

Materials Science · Physical Sciences

8h-index453citations27works1.52yr avg
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Research Topics

Machine Learning in Materials Science(6), Semiconductor materials and devices(5), Molecular Junctions and Nanostructures(5), Advanced Chemical Physics Studies(4), Quantum and electron transport phenomena(3)

Publications27 total

Magnon-phonon interactions from first principles
Physical review. B./Physical review. B·2025· 2 citedOpen Access
Efficient GPU Parallelization of Electronic Transport and Nonequilibrium Dynamics from Electron-Phonon Interactions in the Perturbo Code
arXiv (Cornell University)·2025Open Access
Uncertainty quantification for misspecified machine learned interatomic potentials
npj Computational Materials·2025· 3 citedOpen Access
Advancing simulations of coupled electron and phonon nonequilibrium dynamics using adaptive and multirate time integration
npj Computational Materials·2025Open Access
<i>Ab initio</i> Maxwell-Bloch approach for x-ray excitations in two-dimensional materials
Physical review. B./Physical review. B·2025Open Access
Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials
arXiv (Cornell University)·2025Open Access
Uncertainty Quantification for Misspecified Machine Learned Interatomic Potentials
arXiv (Cornell University)·2025Open Access
Magnon-phonon interactions from first principles
arXiv (Cornell University)·2025Open Access
Exploring parameter dependence of atomic minima with implicit differentiation
npj Computational Materials·2025· 4 citedOpen Access
Advancing Simulations of Coupled Electron and Phonon Nonequilibrium Dynamics Using Adaptive and Multirate Time Integration
arXiv (Cornell University)·2024Open Access
Exploring parameter dependence of atomic minima with implicit differentiation
arXiv (Cornell University)·2024Open Access
Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation
npj Computational Materials·2024· 9 citedOpen Access
Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation
arXiv (Cornell University)·2023Open Access
<i>Ab initio</i> electron dynamics in high electric fields: Accurate prediction of velocity-field curves
Physical review. B./Physical review. B·2021· 15 citedOpen Access
Perturbo: A software package for ab initio electron–phonon interactions, charge transport and ultrafast dynamics
Computer Physics Communications·2021· 255 citedOpen Access
Real-time dynamics of electrons in solids under high applied electric fields
Bulletin of the American Physical Society·2021
Extrapolating Unconverged GW Energies up to the Complete Basis Set Limit with Linear Regression
Journal of Chemical Theory and Computation·2020· 22 cited
Quantitative electronic stopping power from localized basis set
Bulletin of the American Physical Society·2020
Quantitative electronic stopping power from localized basis set
Physical review. B./Physical review. B·2020· 16 cited
Irradiation ionique des matériaux : dynamique des excitations électroniques en temps réel
ZooKeys·2019Open Access
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Frequent Co-authors

Marco Bernardi(12), Fabien Bruneval(6), Jean-Paul Crocombette(5), Jin-Jian Zhou(3), Jia Yao(3), Jinsoo Park(2), Mykhailo Girych(2), Petr Grigorev(2), Thomas D. Swinburne(2), Danny Pérez(2), Aparna P. A. Subramanyam(2), Thomas D. Swinburne(2), Hsiao‐Yi Chen(2), Davide Sangalli(2), Alejandro Molina‐Sánchez(2), David J. Gardner(2), Carol S. Woodward(2), Jia Yao(2), Johannes Sturm(2), Dominik Christiansen(2)