RESEARCH PAPER · The Journal of Chemical Physics · 2022
Chemical design by artificial intelligence
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Post-Activation Function for Managing the Behavior of a Neural Network Potential with a Low-Dimensional Potential
ChemRxiv · 2023-04-21
Farideh Badichi Akher, Yinan Shu, Zoltan Varga, Suman Bhaumik, Donald G. Truhlar
Read original paper ↗ ·Parametrically Managed Activation Function for Fitting a Neural Network Potential with Physical Behavior Enforced by a Low-Dimensional Potential
The Journal of Physical Chemistry A · 2023-06-12
Farideh Badichi Akher, Yinan Shu, Zoltán Varga, Suman Bhaumik, Donald G. Truhlar
Read original paper ↗ ·Nanomachines in living matters: the soft-robot cytochrome P450
Trends in Chemistry · 2023-08-03
Sason S. Shaik, Kshatresh Dutta Dubey
Read original paper ↗ ·Research on assist design strategy of electric garden tools driven by data and intelligence
Advanced Design Research · 2024-06-01
Xing Li, Junhui Lin, Qing Li, Wen Cao
Read original paper ↗ ·Dual-Level Parametrically Managed Neural Network Method for Learning a Potential Energy Surface for Efficient Dynamics
Journal of Chemical Theory and Computation · 2025-02-27
Suman Bhaumik, Dayou Zhang, Yinan Shu, Donald G. Truhlar
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