3 citations · 4 across the 3 of their papers we have counts for
4 papers
Expressivity of determinantal ansatzes for neural network wave functions
Ni Zhan, William A. Wheeler, Gil Goldshlager +3
Neural network wave functions have shown promise as a way to achieve high accuracy on the many-body quantum problem. These wave functions most commonly use a determinant or sum of…
Space Group Equivariant Crystal Diffusion
Rees Chang, Angela Pak, Alex Guerra +4
Accelerating inverse design of crystalline materials with generative models has significant implications for a range of technologies. Unlike other atomic systems, 3D crystals are i…
Revealing the proton slingshot mechanism in solid acid electrolytes through machine learning molecular dynamics
Menghang Wang, Jingxuan Ding, Grace Xiong +8
In solid acid electrolytes CsHPO and CsHSO, the origin of fast proton conduction has long been debated, attributed either to local proton hopping or to polyanion rotati…
Diagonal Symmetrization of Neural Network Solvers for the Many-Electron Schrödinger Equation
Kevin Han Huang, Ni Zhan, Elif Ertekin +2
Incorporating group symmetries into neural networks has been a cornerstone of success in many AI-for-science applications. Diagonal groups of isometries, which describe the invaria…