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cond-mat.mtrl-sci2024
A Bayesian Committee Machine Potential for Oxygen-containing Organic Compounds
Seungwon Kim, D. ChangMo Yang, Soohaeng Yoo Willow +1
Understanding the pivotal role of oxygen-containing organic compounds in serving as an energy source for living organisms and contributing to protein formation is crucial in the fi…
cond-mat.mtrl-sci2024
A Bayesian Committee Machine Potential for Organic Nitrogen Compounds
Hyun Gyu Park, Soohaeng Yoo Willow, D. ChangMo Yang +1
Large-scale computer simulations of chemical atoms are used in a wide range of applications, including batteries, drugs, and more. However, there is a problem with efficiency as it…