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Dr. Stefan Chmiela


Technische Universität Berlin
Machine Learning for Molecular Simulation in Quantum Chemistry

Marchstraße 23, 10587 Berlin

Stefan Chmiela BIFOLD research group lead
© Chmiela

Dr. Stefan Chmiela

Research Junior Group Lead

Dr. Stefan Chmiela leads the Research Training Group "Machine learning for molecular simulations in quantum chemistry".

2019 Chorafas-Award

  • Hilbert space learning methods
  • Learning from structured data
  • Data efficient learning with explicit prior knowledge constraints

Stefan Chmiela, Valentin Vassilev-Galindo, Oliver T Unke, Adil Kabylda, Huziel E Sauceda, Alexandre Tkatchenko, Klaus-Robert Müller

Accurate global machine learning force fields for molecules with hundreds of atoms

January 11, 2023

Adil Kabylda, Valentin Vassilev-Galindo, Stefan Chmiela, Igor Poltavsky, Alexandre Tkatchenko

Towards Linearly Scaling and Chemically Accurate Global Machine Learning Force Fields for Large Molecules

September 08, 2022

Huziel E. Sauceda, Luis E. Galvez-Gonzalez, Stefan Chmiela, Lauro Oliver Paz-Borbon, Klaus-Robert Müller, Alexandre Tkatchenko

BIGDML— Towards accurate quantum machine learning force fields for materials

June 29, 2022

Machine Learning| Jan 26, 2023

Simulation of complex quantum systems

An international team of BIFOLD scientists together with scientists from the Université du Luxembourg and Google has now successfully developed a machine learning algorithm to simulate complex quantum system.

Machine Learning| May 13, 2020

Machine Learning meets Quantum Physics

BIFOLD researchers contributed to an in-depth referenced work on the physics-based machine learning techniques that model electronic and atomistic properties of matter.