Artificial Intelligence Chemistry – a new open-access journal – has launched a special issue Artificial intelligence in computational chemistry. Submissions to the special issue are open until July 31, 2023. Articles submitted to this issue will be published free of …

Special Issue on Artificial intelligence in computational chemistry Read more »

Alkyne-embedding [11]cycloparaphenylene ([11]CPPs) was functionalized with electron-donating, -neutral, and -withdrawing aryl substituents to yield a series of nanolassos via click chemistry. We used our state-of-the-art, artificial intelligence-enhanced quantum mechanical method 1 (AIQM1) to thoroughly analyze the electronic and photophysical properties of these …

Large Cycloparaphenylene Nanolassos Characterized with AIQM1 Read more »

Recent giant AI experiments such as ChatGPT and GPT-4 are increasingly becoming disruptive and have the potential of bringing lots of harm. These alarming developments have led to a call to pause such experiments. I show my support for such …

In realization of the big dangers posed by giant AI experiments, I sign an open letter calling for their pause Read more »

Mario Barbatti, his group and collaborators published an update on Newton-X – a popular open-source platform for surface hopping and nuclear ensembles. An update include extension of the Newton-X platform to supervised (with our MLatom platform) and unsupervised learning (with ulamdyn). The paper is also open access and appeared in the Journal of Chemical Theory and Computation.