19 citations · 20 across the 6 of their papers we have counts for
4 papers · 1 filter
GW and Bethe-Salpeter Theory for Molecular Polaritons, Quasiparticles, and Excitons
Soohaeng Yoo Willow, Gi Beom Sim, Tae Hyeon Park +6
The electron self-energy is central to quasiparticle theory, yet how an optical cavity enters it remains unclear. We address this question for a molecule in a single-mode cavity us…
Sustainability-Aware Discovery of Dual-Atom Hydrogen Evolution Catalysts via a Unified Machine Learning Framework for Activity and Carbon Cost
Yanmei Zang, Hyun Gyu Park, Gi Beom Sim +8
Catalyst discovery for green hydrogen has optimized activity alone, deferring economic and environmental costs to stages where they disqualify otherwise promising candidates. Here…
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…
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…