6 papers
20 Second Parity Lifetime in an InAs--Pb Tetron Device
Morteza Aghaee, Zulfi Alam, Mariusz Andrzejczuk +162
A central promise of topological quantum computing is that increasing the excitation gap improves device performance significantly. Here, we experimentally validate this principle…
Efficient GPU Parallelization of Electronic Transport and Nonequilibrium Dynamics from Electron-Phonon Interactions in the Perturbo Code
Shiyu Peng, Donnie Pinkston, Jia Yao +3
The Boltzmann transport equation (BTE) with electron-phonon (e-ph) interactions computed from first principles is widely used to study electronic transport and nonequilibrium dynam…
Magnon-phonon interactions from first principles
Khoa B. Le, Ali Esquembre-Kucukalic, Hsiao-Yi Chen +6
Modeling spin-wave (magnon) dynamics in novel materials is important to advance spintronics and spin-based quantum technologies. The interactions between magnons and lattice vibrat…
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…
Uncertainty Quantification for Misspecified Machine Learned Interatomic Potentials
Danny Perez, Aparna P. A. Subramanyam, Ivan Maliyov +1
The use of high-dimensional regression techniques from machine learning has significantly improved the quantitative accuracy of interatomic potentials. Atomic simulations can now p…
Advancing Simulations of Coupled Electron and Phonon Nonequilibrium Dynamics Using Adaptive and Multirate Time Integration
Jia Yao, Ivan Maliyov, David J. Gardner +2
Electronic structure calculations in the time domain provide a deeper understanding of nonequilibrium dynamics in materials. The real-time Boltzmann equation (rt-BTE), used in conj…