19 citations · 20 across the 6 of their papers we have counts for
6 papers
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…
Hybrid Quantum--Classical Machine Learning Potential with Variational Quantum Circuits
Soohaeng Yoo Willow, D. ChangMo Yang, Chang Woo Myung
Quantum algorithms for simulating large and complex molecular systems are still in their infancy, and surpassing state-of-the-art classical techniques remains an ever-receding goal…
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…
Direct calculation of the Entanglement Spectrum in Quantum Monte Carlo with application to \textit{ab initio} Hamiltonians
Norm M. Tubman, D. ChangMo Yang
Several algorithms have been proposed to calculate the spatial entanglement spectrum from high order Renyi entropies. In this work we present an alternative approach for computing…