Pavlo O. Dral
@pavlodral.bsky.social
Prof. at Xiamen University and NCU in Torun, co-founder of Aitomistic.
Researcher and educator in AI-enhanced computational chemistry.
All opinions expressed are mine and do not necessarily reflect those of my employers.
Researcher and educator in AI-enhanced computational chemistry.
All opinions expressed are mine and do not necessarily reflect those of my employers.
Continuing the previous post, here is one of my favorite examples of how things can go wrong when you use universal #ML potentials - MD of H2. I love to show this example to my students, and it is in my online course (aitomistic.com/en/sub/course) at @aitomistic.com .
#compchem
#compchem
October 16, 2025 at 1:55 AM
Continuing the previous post, here is one of my favorite examples of how things can go wrong when you use universal #ML potentials - MD of H2. I love to show this example to my students, and it is in my online course (aitomistic.com/en/sub/course) at @aitomistic.com .
#compchem
#compchem