Daniel B. K. Chu

According to our database, Daniel B. K. Chu authored at least 4 papers between 2022 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

molSimplify 2.0: Improved Structure Generation for Automating Discovery in Inorganic Molecular and Reticular Chemistry.

Gianmarco G. Terrones, Roland G. St. Michel, Jacob W. Toney, Akash K. Ball, Yiran Wang, Aaron G. Garrison, Aditya Nandy, Ralf Meyer, Freya Edholm, Changhwan Oh, Sebastian G. Pujet, Daniel B. K. Chu, Davut Muhammetgulyyev, Heather J. Kulik

J. Chem. Inf. Model., 2026

2024

Many-body expansion based machine learning models for octahedral transition metal complexes.

Ralf Meyer, Daniel B. K. Chu, Heather J. Kulik

Mach. Learn. Sci. Technol., 2024

Ligand Many-Body Expansion as a General Approach for Accelerating Transition Metal Complex Discovery.

Daniel B. K. Chu, David A. González-Narváez, Ralf Meyer, Aditya Nandy, Heather J. Kulik

J. Chem. Inf. Model., 2024

2022

Two Wrongs Can Make a Right: A Transfer Learning Approach for Chemical Discovery with Chemical Accuracy.

Chenru Duan, Daniel B. K. Chu, Aditya Nandy, Heather J. Kulik

CoRR, 2022