Nicholas Gao
9 papers · 2020–2025 · 3 conferences · across top CS/AI conferences
Achievements
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🌉 Interdisciplinary Bridge 🧭 Keyword Pioneer 🌍 Conference Polyglot (3) 🏃 Academic Marathon (5) 🐣 Hot Topic Early Bird
🐝
Cross-Pollinator
(12)
🌈
Renaissance Researcher
(5)
🗺️
Taxonomy Completionist
(16)
Conferences
ICLR (4)
ICML (3)
NIPS (2)
Top co-authors
Keywords
graph neural network
(3)
quantum chemistry
(2)
neural wave function
(2)
recurrent neural network
(1)
normalizing flow
(1)
schrödinger equation
(1)
molecular graph
(1)
out-of-distribution detection
(1)
molecular dynamics
(1)
uncertainty estimation
(1)
parallel sampling
(1)
message passing neural network
(1)
temporal point process
(1)
continuous-time event
(1)
long-range interaction
(1)
molecular orbital
(1)
potential energy surface
(1)
ewald summation
(1)
energy prediction
(1)
triangular map
(1)
Papers
Lift Your Molecules: Molecular Graph Generation in Latent Euclidean Space
ICLR 2025
Learning Equivariant Non-Local Electron Density Functionals
ICLR 2025
Neural Pfaffians: Solving Many Many-Electron Schrödinger Equations
NIPS 2024
Uncertainty Estimation for Molecules: Desiderata and Methods
ICML 2023
Sampling-free Inference for Ab-Initio Potential Energy Surface Networks
ICLR 2023
Generalizing Neural Wave Functions
ICML 2023
Ewald-based Long-Range Message Passing for Molecular Graphs
ICML 2023
Ab-Initio Potential Energy Surfaces by Pairing GNNs with Neural Wave Functions
ICLR 2022
Fast and Flexible Temporal Point Processes with Triangular Maps
NIPS 2020