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Xiang Gao
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TorchANI: A Free and Open Source PyTorch Based Deep Learning Implementation of the ANI Neural Network Potentials
X Gao, F Ramezanghorbani, O Isayev, J Smith, A Roitberg
Journal of Chemical Information and Modeling 60 (7), 3408-3415, 2020
2062020
Bounds on the Jensen gap, and implications for mean-concentrated distributions
X Gao, M Sitharam, AE Roitberg
The Australian Journal of Mathematical Analysis and Applications 16 (2 …, 2019
532019
The generalized Boltzmann distribution is the only distribution in which the Gibbs-Shannon entropy equals the thermodynamic entropy
X Gao, E Gallicchio, AE Roitberg
The Journal of chemical physics 151 (3), 034113, 2019
352019
Super resolution convolutional neural network for feature extraction in spectroscopic data
H Peng, X Gao, Y He, Y Li, Y Ji, C Liu, SA Ekahana, D Pei, Z Liu, Z Shen, ...
Review of Scientific Instruments 91 (3), 2020
192020
Implementing new educational platforms in the classroom: An interactive approach to the particle in a box problem
VWD Cruzeiro, X Gao, VD Kleiman
Journal of Chemical Education 96 (8), 1663-1670, 2019
112019
The Mathematics of the Ensemble Theory
X Gao
Results in Physics 34, 105230, 2022
32022
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Articles 1–6