51 citations · 51 across the 4 of their papers we have counts for
4 papers
Accelerating and enhancing thermodynamic simulations of electrochemical interfaces
Xiaochen Du, Mengren Liu, Jiayu Peng +6
Electrochemical interfaces are crucial in catalysis, energy storage, and corrosion, where their stability and reactivity depend on complex interactions between the electrode, adsor…
Open-orbit induced low field extremely large magnetoresistance in graphene/h-BN superlattices
Zihao Wang, Pablo M. Perez-Piskunow, Calvin Pei Yu Wong +13
We report intriguing and hitherto overlooked low-field room temperature extremely large magnetoresistance (XMR) patterns in graphene/hexagonal boron nitride (h-BN) superlattices th…
Higher-Order Equivariant Neural Networks for Charge Density Prediction in Materials
Teddy Koker, Keegan Quigley, Eric Taw +2
The calculation of electron density distribution using density functional theory (DFT) in materials and molecules is central to the study of their quantum and macro-scale propertie…
Machine-learning-accelerated simulations to enable automatic surface reconstruction
Xiaochen Du, James K. Damewood, Jaclyn R. Lunger +4
Understanding material surfaces and interfaces is vital in applications like catalysis or electronics. By combining energies from electronic structure with statistical mechanics, a…