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Chenru Duan

Showing results (11-20 of 41) with videos related to

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Journal of Chemical Theory and Computation|December 22, 2022
DFT-Based Multireference Diagnostics in the Solid State: Application to Metal-Organic FrameworksYeongsu Cho, Aditya Nandy, Chenru Duan, et al.
The Journal of Physical Chemistry Letters|July 22, 2020
Semi-supervised Machine Learning Enables the Robust Detection of Multireference Character at Low CostChenru Duan, Fang Liu, Aditya Nandy, et al.
Nature Computational Science|January 4, 2024
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion modelChenru Duan, Yuanqi Du, Haojun Jia, et al.
The Journal of Chemical Physics|March 3, 2019
Dynamical scaling in the Ohmic spin-boson model studied by extended hierarchical equations of motionQianlong Wang, Zhihao Gong, Chenru Duan, et al.
Chemical Science|February 16, 2023
Low-cost machine learning prediction of excited state properties of iridium-centered phosphorsGianmarco G Terrones, Chenru Duan, Aditya Nandy, et al.
Scientific Data|December 4, 2025
A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic PotentialsTaoyong Cui, Yonghong Han, Haojun Jia, et al.
ACS Central Science|April 29, 2020
Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global OptimizationJon Paul Janet, Sahasrajit Ramesh, Chenru Duan, et al.
Physical Chemistry Chemical Physics : PCCP|September 28, 2023
Gas-phase and solid-state electronic structure analysis and DFT benchmarking of HfCOIsuru R Ariyarathna, Yeongsu Cho, Chenru Duan, et al.
The Journal of Physical Chemistry Letters|May 2, 2020
Unusual Transport Properties with Noncommutative System-Bath Coupling OperatorsChenru Duan, Chang-Yu Hsieh, Junjie Liu, et al.
Journal of Cheminformatics|December 19, 2023
Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data setsMaria H Rasmussen, Chenru Duan, Heather J Kulik, et al.
Pageof 5

Showing results (11-20 of 41) with videos related to

Sort By:
Pageof 5
Journal of Chemical Theory and Computation|December 22, 2022
DFT-Based Multireference Diagnostics in the Solid State: Application to Metal-Organic FrameworksYeongsu Cho, Aditya Nandy, Chenru Duan, et al.
The Journal of Physical Chemistry Letters|July 22, 2020
Semi-supervised Machine Learning Enables the Robust Detection of Multireference Character at Low CostChenru Duan, Fang Liu, Aditya Nandy, et al.
Nature Computational Science|January 4, 2024
Accurate transition state generation with an object-aware equivariant elementary reaction diffusion modelChenru Duan, Yuanqi Du, Haojun Jia, et al.
The Journal of Chemical Physics|March 3, 2019
Dynamical scaling in the Ohmic spin-boson model studied by extended hierarchical equations of motionQianlong Wang, Zhihao Gong, Chenru Duan, et al.
Chemical Science|February 16, 2023
Low-cost machine learning prediction of excited state properties of iridium-centered phosphorsGianmarco G Terrones, Chenru Duan, Aditya Nandy, et al.
Scientific Data|December 4, 2025
A Large Scale Molecular Hessian Database for Optimizing Reactive Machine Learning Interatomic PotentialsTaoyong Cui, Yonghong Han, Haojun Jia, et al.
ACS Central Science|April 29, 2020
Accurate Multiobjective Design in a Space of Millions of Transition Metal Complexes with Neural-Network-Driven Efficient Global OptimizationJon Paul Janet, Sahasrajit Ramesh, Chenru Duan, et al.
Physical Chemistry Chemical Physics : PCCP|September 28, 2023
Gas-phase and solid-state electronic structure analysis and DFT benchmarking of HfCOIsuru R Ariyarathna, Yeongsu Cho, Chenru Duan, et al.
The Journal of Physical Chemistry Letters|May 2, 2020
Unusual Transport Properties with Noncommutative System-Bath Coupling OperatorsChenru Duan, Chang-Yu Hsieh, Junjie Liu, et al.
Journal of Cheminformatics|December 19, 2023
Uncertain of uncertainties? A comparison of uncertainty quantification metrics for chemical data setsMaria H Rasmussen, Chenru Duan, Heather J Kulik, et al.
Pageof 5