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A sparse Bayesian Committee Machine potential for oxygen-containing organic compounds File

Willow, Soohaeng Yoo , Kim, Seungwon , Yang, D. ChangMo , Ha, Miran , Hajibabaei, Amir , Yang, Jung Woon , Kim, Kwang S. , Myung, Chang Woo

Article Issue Date2025-06 View292
Ab initio molecular dynamics of liquid water using embedded-fragment second-order many-body perturbation theory towards its accurate property prediction File File

Willow, Soohaeng Yoo , Salim, Michael A. , Kim, Kwang S. , Hirata, So

Article Issue Date2015-09 View178
Active sparse Bayesian committee machine potential for isothermal-isobaric molecular dynamics simulations File

Willow, Soohaeng Yoo , Kim, Dong Geon , Sundheep, R. , Hajibabaei, Amir , Kim, Kwang S. , Myung, Chang Woo

Article Issue Date2024-07 View259
Convergence Acceleration of Parallel Monte Carlo Second-Order Many-Body Perturbation Calculations Using Redundant Walkers File

Willow, Soohaeng Yoo , Hermes, Matthew R. , Kim, Kwang S. , Hirata, So

Article Issue Date2013-10 View166
Machine Learning Nonadiabatic Dynamics: Eliminating Phase Freedom of Nonadiabatic Couplings with the State-Interaction State-Averaged Spin-Restricted Ensemble-Referenced Kohn-Sham Approach File

Moon, Sung Wook , Willow, Soohaeng Yoo , Park, Tae Hyeon , Min, Seung Kyu , Myung, Chang Woo

Article Issue Date2025-02 View72
Stochastic evaluation of second-order Dyson self-energies File

Willow, Soohaeng Yoo , Kim, Kwang S. , Hirata, So

Article Issue Date2013-04 View108
Why Is MP2-Water "Cooler" and "Denser" than DFT-Water? File

Willow, Soohaeng Yoo , Zeng, Xiao Cheng , Xantheas, Sotiris S. , Kim, Kwang S. , Hirata, So

Article Issue Date2016-02 View183
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