Prediction of transition state structures of gas-phase chemical reactions via machine learning

por Choi, Sunghwan
Publicado 2023

Energy refinement and analysis of structures in the QM9 database via a highly accurate quantum chemical method

por Kim, Hyungjun, Park, Ji Young, Choi, Sunghwan
Publicado 2019

System-Specific Separable Basis Based on Tucker Decomposition: Application to Density Functional Calculations

por Woo, Jeheon, Kim, Woo Youn, Choi, Sunghwan
Publicado 2022

Machine Learning Applications for Chemical Reactions

por Park, Sanggil, Han, Herim, Kim, Hyungjun, Choi, Sunghwan
Publicado 2022

A community-powered search of machine learning strategy space to find NMR property prediction models

por Bratholm, Lars A., Gerrard, Will, Anderson, Brandon, Bai, Shaojie, Choi, Sunghwan, Dang, Lam, Hanchar, Pavel, Howard, Addison, Kim, Sanghoon, Kolter, Zico, Kondor, Risi, Kornbluth, Mordechai, Lee, Youhan, Lee, Youngsoo, Mailoa, Jonathan P., Nguyen, Thanh Tu, Popovic, Milos, Rakocevic, Goran, Reade, Walter, Song, Wonho, Stojanovic, Luka, Thiede, Erik H., Tijanic, Nebojsa, Torrubia, Andres, Willmott, Devin, Butts, Craig P., Glowacki, David R.
Publicado 2021