The 2nd edition of the International Symposium on Machine Learning in Quantum Chemistry, SMLQC 2023, is approaching and will be held from November 29 to December 1 in Uppsala, Sweden. See the symposium’s website https://www.smlqc2023.com/ for more information. The deadline …
SMLQC 2023: The 2nd International Symposium on Machine Learning in Quantum Chemistry Read more »
In a recent article published in Frontiers in Physics, we introduce QD3SET-1, a database consisting of 8 data sets that provide the time-evolved population and coherence dynamics for two widely studied systems: the so-called spin-boson model and FMO complex. The …
QD3SET-1: A Database with Quantum Dissipative Dynamics Data Sets Read more »
By Pavlo O. Dral and Arif Ullah (the views and opinions expressed in this article are those of the authors and do not necessarily reflect the official policy or position of the authors’ affiliated institutions) Preprints are available on Zenodo …
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 potential of bringing lots of harm. These alarming developments have led to a call to pause such experiments. I show my support for such …
Artificial Intelligence Chemistry, a new chemical journal launched by Elsevier, with international peer review and online open access, is now officially open to submissions. MLatom founder and XACS co-founder Professor Pavlo O. Dral joins the Editorial Board of this new …
Symposium on Machine Learning in Quantum Chemistry 2021 (SMLQC-2021) has been a huge success with many great talks and discussions, chats after talks, and poster sessions! This success has prompted us to continue and expand this kind of events on request …
Prof. Walter Thiel passed away unexpectedly on August 23, 2019.
A highlight by Jan Jensen about the Δ-ML approach proposed by us [1] was the most viewed highlight in Computational Chemistry Highlights in 2015. This marks a pleasant ending of the last-year research on improving accuracy of computationally less demanding …
Highlight about Δ-ML Approach Most Viewed in 2015 Read more »
Wikipedia is treasure trove of free knowledge shared by volunteers. While English Wikipedia is the most known and has the largest number of articles, you may find information in more than 200 different languages. Obviously some topics are covered better …
In a response to my previous post “Geography of High-Quality Science” Rasmus Persson has raised an interesting question: to what extent does or does not national GDP correlate with the “research output”? Here I try to answer it and analyze …