Follow
Nicholas Gao
Title
Cited by
Cited by
Year
Artificial intelligence for science in quantum, atomistic, and continuum systems
X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie, M Liu, Y Lin, Z Xu, K Yan, ...
arXiv preprint arXiv:2307.08423, 2023
1032023
Neural network ansatz for periodic wave functions and the homogeneous electron gas
M Wilson, S Moroni, M Holzmann, N Gao, F Wudarski, T Vegge, ...
Physical Review B 107 (23), 235139, 2023
47*2023
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions
N Gao, S Günnemann
International Conference on Learning Representations (Spotlight), 2022
392022
Fast and flexible temporal point processes with triangular maps
O Shchur, N Gao, M Biloš, S Günnemann
Advances in neural information processing systems (Oral) 33, 73-84, 2020
332020
Ewald-based Long-Range Message Passing for Molecular Graphs
A Kosmala, J Gasteiger, N Gao, S Günnemann
International Conference on Machine Learning, 2023
252023
Generalizing Neural Wave Functions
N Gao, S Günnemann
International Conference on Machine Learning, 2023
242023
Simulations of state-of-the-art fermionic neural network wave functions with diffusion Monte Carlo
M Wilson, N Gao, F Wudarski, E Rieffel, NM Tubman
Preprint, 2021
242021
High-dimensional similarity search with quantum-assisted variational autoencoder
N Gao, M Wilson, T Vandal, W Vinci, R Nemani, E Rieffel
Proceedings of the 26th ACM SIGKDD international conference on knowledge …, 2020
212020
Sampling-free Inference for Ab-Initio Potential Energy Surface Networks
N Gao, S Günnemann
International Conference on Learning Representations, 2023
202023
Quantum robustness verification: A hybrid quantum-classical neural network certification algorithm
N Franco, T Wollschläger, N Gao, JM Lorenz, S Günnemann
2022 IEEE International Conference on Quantum Computing and Engineering (QCE …, 2022
122022
Uncertainty estimation for molecules: Desiderata and methods
T Wollschläger, N Gao, B Charpentier, MA Ketata, S Günnemann
International conference on machine learning, 37133-37156, 2023
112023
Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations
N Gao, S Günnemann
Neural Information Processing Systems (Oral), 2024
22024
Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
MA Ketata, N Gao, J Sommer, T Wollschläger, S Günnemann
GRaM @ ICLR 2024 (Best Paper Runner-up), 2024
12024
On Representing Electronic Wave Functions with Sign Equivariant Neural Networks
N Gao, S Günnemann
AI4DifferentialEquations in Science at ICLR, 2024
12024
Learning Equivariant Non-Local Electron Density Functionals
N Gao, E Eberhard, S Günnemann
arXiv preprint arXiv:2410.07972, 2024
2024
The system can't perform the operation now. Try again later.
Articles 1–15