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Dral's Group AI-enhanced computational chemistry | LOOKING FOR POSTDOCS WITH DIFFERENT EXPERTISE (QM AND ML METHOD DEVELOPMENT, SOLID-STATE MEHOD DEVELOPMENT, APPLICATIONS AND MORE)

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Tag: MLatom release

Surface hopping dynamics with MLatom is coming: Join online broadcast!
Machine Learning in Chemistry, Method Development, News, Semiempirical Methods

Surface hopping dynamics with MLatom is coming: Join online broadcast!

Pavlo Dral Apr 3, 2024 Tagged with AI, AIQM1, excited states, ML, MLatom, MLatom release, nonadiabatic dynamics, SQC

MLatom@XACS makes AI-enhanced computational chemistry more accessible and supports both ground- and excited-state simulations with quantum …

Surface hopping dynamics with MLatom is coming: Join online broadcast! Read more →

Machine Learning in Chemistry, Method Development, News

MLatom 3.2.0 released

Pavlo Dral Mar 20, 2024 Tagged with MLatom, MLatom release

We are happy to announce that MLatom 3.2.0 is released on 19.03.2024. See the full release …

MLatom 3.2.0 released Read more →

MLatom 3: 10-year anniversary edition is released!
Machine Learning in Chemistry, News

MLatom 3: 10-year anniversary edition is released!

Pavlo Dral Sep 22, 2023 Tagged with MLatom, MLatom release

We are happy to announce that on the occasion of its ten-year anniversary, we have released …

MLatom 3: 10-year anniversary edition is released! Read more →

Machine Learning in Chemistry, Method Development, News

MLatom 2: Introducing a Platform for Atomistic Machine Learning

Pavlo Dral Jun 16, 2021 Tagged with method development, ML, MLatom, MLatom release, publications, Top. Curr. Chem.

We are happy to introduce MLatom 2: a major release of our integrative platform for user-friendly …

MLatom 2: Introducing a Platform for Atomistic Machine Learning Read more →

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