450 citations · 453 across the 5 of their papers we have counts for
5 papers
Bridging deep learning force fields and electronic structures with a physics-informed approach
Yubo Qi, Weiyi Gong, Qimin Yan
This work presents a physics-informed neural network approach bridging deep-learning force field and electronic structure simulations, illustrated through twisted two-dimensional l…
Towards Accurate Prediction of Configurational Disorder Properties in Materials using Graph Neural Networks
Zhenyao Fang, Qimin Yan
The prediction of configurational disorder properties, such as configurational entropy and order-disorder phase transition temperature, of compound materials relies on efficient an…
Exciton Confinement in Two-Dimensional, In-Plane, Quantum Heterostructures
Gwangwoo Kim, Benjamin Huet, Christopher E. Stevens +12
Two-dimensional (2D) semiconductors are promising candidates for optoelectronic application and quantum information processes due to their inherent out-of-plane 2D confinement. In…
2022 Roadmap for Materials for Quantum Technologies
Christoph Becher, Weibo Gao, Swastik Kar +15
Quantum technologies are poised to move the foundational principles of quantum physics to the forefront of applications. This roadmap identifies some of the key challenges and prov…
First-principles theory of nonradiative carrier capture via multiphonon emission
Audrius Alkauskas, Qimin Yan, Chris G. Van de Walle
We develop a practical first-principles methodology to determine nonradiative carrier capture coefficients at defects in semiconductors. We consider transitions that occur via mult…