134 citations · 574 across the 19 of their papers we have counts for
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Unitary-Coupled Restricted Boltzmann Machine Ansatz for Quantum Simulations
Chang-yu Hsieh, Qiming Sun, Shengyu Zhang +1
Neural-Network Quantum State (NQS) has attracted significant interests as a powerful wave-function ansatz to model quantum phenomena. In particular, a variant of NQS based on the r…
Deep Learning for Optoelectronic Properties of Organic Semiconductors
Chengqiang Lu, Qi Liu, Qiming Sun +4
Atomistic modeling of energetic disorder in organic semiconductors (OSCs) and its effects on the optoelectronic properties of OSCs requires a large number of excited-state electron…
Alchemy: A Quantum Chemistry Dataset for Benchmarking AI Models
Guangyong Chen, Pengfei Chen, Chang-Yu Hsieh +9
We introduce a new molecular dataset, named Alchemy, for developing machine learning models useful in chemistry and material science. As of June 20th 2019, the dataset comprises of…