2 citations · 3 across the 6 of their papers we have counts for
4 papers · 1 filter
Spin-Adapted Neural Network Wavefunctions in Real Space
Ruichen Li, Yuzhi Liu, Du Jiang +7
Spin plays a fundamental role in understanding electronic structure, yet many real-space wavefunction methods fail to adequately consider it. We introduce the Spin-Adapted Antisymm…
Neural Scaling Laws Surpass Chemical Accuracy for the Many-Electron Schrödinger Equation
Du Jiang, Xuelan Wen, Yixiao Chen +8
We demonstrate, for the first time, that neural scaling laws can deliver near-exact solutions to the many-electron Schrödinger equation across a broad range of realistic molecules.…
Quantum Many-Body Simulations of Catalytic Metal Surfaces
Changsu Cao, Hung Q. Pham, Zhen Guo +5
Quantum simulations of metal surfaces are critical for catalytic innovation. Yet existing methods face a cost-accuracy dilemma: density functional theory is efficient but system-de…
Empowering Neural Network-based Quantum Monte Carlo with Local Pseudopotentials
Weizhong Fu, Ryunosuke Fujimaru, Ruichen Li +9
Neural Network-based Quantum Monte Carlo (NNQMC), an emerging method for solving many-body quantum systems with high accuracy, has been mainly applied to small systems due to deman…