Siqi’s first-authored paper, “Integrating Graph Neural Networks and Many-Body Expansion Theory for Potential Energy Surfaces”, has been accepted by NeurIPS 2024 AI4Mat Workshop as a Spotlight Talk! In this paper, Siqi and coworkers from our team presented a new version …
Hongshan’s first-authored paper, “Nickel-Doped Indium Oxide Ultrafine Nanoparticles for ppb-Level Nitrogen Dioxide Detection”, has been accepted by Applied Surface Science! In this paper, Hongshan explained the mechanism for NO2 adsorption and sensing on the surface of In2O3 and Ni:In2O3 nanomaterials. You are …
Hongshan’s first-authored paper was accepted by Applied Surface Science! Read more »
Our collaborative work with The Thayumanavan Group, led by Dr. Jun Yi and former undergraduate student Gideon Tzafriri and titled “Intramolecular Electrostatic Interactions Regulate Reactivity of Zwitterionic Functionalities in Amphiphilic Assemblies”, has been published online. Please check out https://doi.org/10.1002/anie.202405868 if you …
Paper by Jun and Gideon online on Angew. Chem. Int. Ed.! Read more »
We are pleased to say goodbye to three undergraduate students who have just departed from the group and moved to their dream graduate schools! Kaijia Liu joined Chemistry at the University of Wisconsin–Madison, Chengxi Jiang joined Chemical and Biomolecular Engineering …
Farewell Kaijia Liu, Chengxi Jiang, and Shuyi Chen! Read more »
Our former undergraduate student, Kevin Alexander, has just won a prestigious Goldwater Scholarship from the Department of Defense! Congratulations!
Our second-year graduate student, Siqi, has just received a travel award for her outstanding performance in the Chemical Engineering Recruitment Poster Session! Congratulations!
Cheng-Wei’s follow-up paper on our ML-ωPBE functional, was accepted by The Journal of Physical Chemistry A! More excitingly, we are selected as the Front Cover of the latest issue! Please kindly refer to the online version here: https://doi.org/10.1021/acs.jpca.3c07437
Zhou’s independent contribution to accelerating density functional theory using machine learning has been recognized for Sanibel Symposium Young Investigator Award issued by University of Florida Quantum Yield Project! Thanks to everyone who contributed to these projects!
This piece of news is late, but let’s congratulate Siqi again!
First year graduate student, Ms. Xi Cheng, has decided to join our group. Welcome!