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Zhuoran Qiao
Zhuoran Qiao
Iambic Therapeutics
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Title
Cited by
Cited by
Year
OrbNet: Deep learning for quantum chemistry using symmetry-adapted atomic-orbital features
Z Qiao, M Welborn, A Anandkumar, FR Manby, TF Miller
The Journal of chemical physics 153 (12), 2020
2412020
Informing Geometric Deep Learning with Electronic Interactions to Accelerate Quantum Chemistry
Z Qiao, AS Christensen, M Welborn, FR Manby, A Anandkumar, ...
Proceedings of the National Academy of Sciences 119 (31), e2205221119, 2022
82*2022
Multi-modal molecule structure–text model for text-based retrieval and editing
S Liu, W Nie, C Wang, J Lu, Z Qiao, L Liu, J Tang, C Xiao, A Anandkumar
Nature Machine Intelligence 5 (12), 1447-1457, 2023
752023
OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
AS Christensen, SK Sirumalla, Z Qiao, MB O’Connor, DGA Smith, F Ding, ...
The Journal of Chemical Physics 155 (20), 2021
652021
# COVIDisAirborne: AI-enabled multiscale computational microscopy of delta SARS-CoV-2 in a respiratory aerosol
A Dommer, L Casalino, F Kearns, M Rosenfeld, N Wauer, SH Ahn, ...
The international journal of high performance computing applications 37 (1 …, 2023
622023
Structure of water confined between two parallel graphene plates
X Cai, WJ Xie, Y Yang, Z Long, J Zhang, Z Qiao, L Yang, YQ Gao
The Journal of chemical physics 150 (12), 2019
352019
Retrieval-based controllable molecule generation
Z Wang, W Nie, Z Qiao, C Xiao, R Baraniuk, A Anandkumar
arXiv preprint arXiv:2208.11126, 2022
212022
State-specific protein–ligand complex structure prediction with a multiscale deep generative model
Z Qiao, W Nie, A Vahdat, TF Miller III, A Anandkumar
Nature Machine Intelligence, 1-14, 2024
192024
Multi-task learning for electronic structure to predict and explore molecular potential energy surfaces
Z Qiao, F Ding, M Welborn, PJ Bygrave, DGA Smith, A Anandkumar, ...
arXiv preprint arXiv:2011.02680, 2020
122020
Ice nucleation of confined monolayer water conforms to classical nucleation theory
Z Qiao, Y Zhao, YQ Gao
The Journal of Physical Chemistry Letters 10 (11), 3115-3121, 2019
112019
Interlayer hopping dynamics of bilayer water confined between graphene sheets
Z Qiao, WJ Xie, X Cai, YQ Gao
Chemical Physics Letters 722, 153-159, 2019
32019
Systems and Methods for Determining Molecular Structures with Molecular-Orbital-Based Features
TF Miller, MG Welborn, L Cheng, T Husch, J Song, N Kovachki, D Burov, ...
US Patent App. 16/817,489, 2020
12020
Physics-Informed Neural Approaches for Multiscale Molecular Modeling and Design
Z Qiao
California Institute of Technology, 2023
2023
Systems and Methods for Determining Molecular Properties with Atomic-Orbital-Based Features
Z Qiao, A Anandkumar, TF Miller, MG Welborn, FR Manby, F Ding, ...
US Patent App. 17/332,951, 2022
2022
Supplementary Material for OrbNet Denali: A machine learning potential for biological and organic chemistry with semi-empirical cost and DFT accuracy
AS Christensen, SK Sirumalla, Z Qiao, MB O’Connor, DGA Smith, F Ding, ...
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