Pavlo O. Dral

Employment

• Uniwersytet Mikołaja Kopernika w Toruniu Visiting Professor
  2024 - Present
• Xiamen University Full Professor
  2021 - Present
• Max-Planck-Institut für Kohlenforschung
  2013 - 2019

Education

• Friedrich-Alexander-Universität Erlangen-Nürnberg Dr. rer. nat.
  2010 - 2013

Projects & Funding

Projects & funding information is unavailable.

Publications (156)

• A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
  Arxiv 2025 DOI: 10.48550/arXiv.2505.23344
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• A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors
  Chemrxiv 2025 DOI: 10.26434/chemrxiv-2025-wzkst
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• ANI-1ccx-gelu Universal Interatomic Potential and Its Fine-Tuning: Toward Accurate and Efficient Anharmonic Vibrational Frequencies
  Journal of Physical Chemistry Letters 2025 DOI: 10.1021/acs.jpclett.4c03031
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• Accurate and Affordable Simulation of Molecular Infrared Spectra with AIQM Models
  Journal of Physical Chemistry A 2025 DOI: 10.1021/acs.jpca.5c00146
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• Active delta-learning for fast construction of interatomic potentials and stable molecular dynamics simulations
  Machine Learning Science and Technology 2025 DOI: 10.1088/2632-2153/adeb46
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• Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations
  Arxiv 2025 DOI: 10.48550/arXiv.2505.08195
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• Aitomia: Your Intelligent Assistant for AI-Driven Atomistic and Quantum Chemical Simulations
  Chemrxiv 2025 DOI: 10.26434/chemrxiv-2025-gnf13-v3
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• Alternating Donor-Acceptor Thienoacenes Featuring Up to 23 Linearly Fused Rings
  Organic Letters 2025 DOI: 10.1021/acs.orglett.5c00928
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• Artificial Intelligence for Direct Prediction of Molecular Dynamics Across Chemical Space
  Arxiv 2025 DOI: 10.48550/arXiv.2505.16301
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• Artificial Intelligence for Direct Prediction of Molecular Dynamics Across Chemical Space
  Chemrxiv 2025 DOI: 10.26434/chemrxiv-2025-kc7sn
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