Title |
|---|
 Scalable learning of potentials to predict time-dependent Hartree-Fock
dynamicsAPL Machine Learning (AML), 2024 |
 Symmetry-Aware Actor-Critic for 3D Molecular DesignInternational Conference on Learning Representations (ICLR), 2020 |
 Machine Learning a Molecular Hamiltonian for Predicting Electron
DynamicsInternational Journal of Dynamics and Control (IJDC), 2020 |
 Atomistic Structure Learning Algorithm with surrogate energy model
relaxationPhysical review B (PRB), 2020 |
 Reinforcement Learning for Molecular Design Guided by Quantum MechanicsInternational Conference on Machine Learning (ICML), 2020 |
