Peikun Zheng, the main developer of AIQM1 and contributor to many other methods and studies, successfully …
Congratulations to Peikun, Wudi, Shuang, Yifan, and Yanchi with successful graduations! Read more →
We improved (p)KREG models for an accurate representation of molecular potential energy surfaces (PESs) by including …
(p)KREG Models for Accurate Molecular Potential Energy Surfaces Read more →
Alkyne-embedding [11]cycloparaphenylene ([11]CPPs) was functionalized with electron-donating, -neutral, and -withdrawing aryl substituents to yield a series of nanolassos …
Large Cycloparaphenylene Nanolassos Characterized with AIQM1 Read more →
By Pavlo O. Dral and Arif Ullah (the views and opinions expressed in this article are …
Call for urgent regulations on artificial intelligence Read more →
Recent giant AI experiments such as ChatGPT and GPT-4 are increasingly becoming disruptive and have the …
Our work published in Scientific Data presents the WS22 database, which contains 10 flexible organic molecules …
In our work published in the Journal of Chemical Physics, we investigate the performance of AIQM1 on …
Materials can simultaneously absorb not just one but two photons and molecules with strong two-photon absorption …
Explaining and Predicting Two-Photon Absorption with Machine Learning Read more →
Artificial Intelligence Chemistry, a new chemical journal launched by Elsevier, with international peer review and online …
It is time for drawing up conclusions for the year and here is my brief overview …