3 papers
cond-mat.mtrl-sci2025
Ab initio Maxwell-Bloch Approach for X-Ray Excitations in Two-Dimensional Materials
Joris Sturm, Ivan Maliyov, Dominik Christiansen +3
The combination of Maxwell and X-ray Bloch equations forms an appropriate framework to describe ultrafast time-resolved X-ray experiments on attosecond time scale in crystalline so…
cond-mat.mtrl-sci2024
Exploring parameter dependence of atomic minima with implicit differentiation
Ivan Maliyov, Petr Grigorev, Thomas D Swinburne
Interatomic potentials are essential to go beyond ab initio size limitations, but simulation results depend sensitively on potential parameters. Forward propagation of parameter va…
cond-mat.mtrl-sci2023
Dynamic mode decomposition of nonequilibrium electron-phonon dynamics: accelerating the first-principles real-time Boltzmann equation
Ivan Maliyov, Jia Yin, Jia Yao +2
Nonequilibrium dynamics governed by electron-phonon (e-ph) interactions plays a key role in electronic devices and spectroscopies and is central to understanding electronic excitat…