Search

4 results in Authors: Haojun Jia

Computational Discovery of Codoped Single-Atom Catalysts for Methane-to-Methanol Conversion

Haojun Jia, Chenru Duan, Ilia Kevlishvili, Aditya Nandy, Mingjie Liu, Heather Kulik

Version 1 posted 17 November 2023

377

Downloads

Theoretical and Computational Chemistry

Generative Design of Functional Metal Complexes Utilizing the Internal Knowledge of Large Language Models

Jieyu Lu, Zhangde Song, Qiyuan Zhao, Yuanqi Du, Yirui Cao, Haojun Jia, Chenru Duan

Version 1 posted 24 October 2024

115

Downloads

Materials Chemistry

Benchmarking Nitrous Oxide Adsorption and Activation in Metal-Organic Frameworks Bearing Coordinatively Unsaturated Metal Centers

Tristan Pitt, Haojun Jia, Tyler Azbell, Mary Zick, Aditya Nandy, Heather Kulik, Phillip Milner

Version 1 posted 12 December 2023

408

Downloads

1

Citations

Theoretical and Computational Chemistry

Leveraging natural language processing to curate the tmCAT, tmPHOTO, tmBIO, and tmSCO datasets of functional transition metal complexes

Ilia Kevlishvili, Roland St. Michel, Aaron Garrison, Jacob Toney, Husain Adamji, Haojun Jia, Heather Kulik

Version 1 posted 06 May 2024

244

Downloads