Sunghwan Choi

Assistant Professor

Inha University

South Korea

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About

Sunghwan Choi is an Assistant Professor at Inha University in South Korea. His research areas encompass machine learning applications in chemistry, including topics such as molecular structure generation, ADMET properties prediction, and density functional calculations. He has authored several recent articles that explore innovative approaches in computational chemistry and the use of automated machine learning techniques.

Articles (8)

Year:

2025

Year:

2025

Year:

2024

Year:

2023

Year:

2022

Year:

2022

Year:

2021

Year:

2020

Collaborators (1)

Jaewook Kim

Korea Advanced Institute of Science and Technology

SOUTH KOREA

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Sunghwan Choi

Research Interests

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Articles (8)

Hybridization of SMILES and chemical-environment-aware tokens to improve performance of molecular structure generation

Employing Automated Machine Learning (AutoML) Methods to Facilitate the In Silico ADMET Properties Prediction

Efficient Shift-and-Invert Preconditioning for Multi-GPU Accelerated Density Functional Calculations

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

Machine Learning Applications for Chemical Reactions

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

Transfer Learning from Simulation to Experimental Data: NMR Chemical Shift Predictions

ACE-Molecule: An open-source real-space quantum chemistry package

Collaborators (1)

Jaewook Kim

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