Accurate and Efficient Method for Many-Body van der Waals Interactions

• Exploring Conformational Transitions of Adenine RNA Dimer via Machine Learning Potentials

  2026 Journal of Chemical Theory and Computation article Biochemistry, Genetics and Molecular Biology RNA and protein synthesis mechanisms Open access

  0

  citations
• Exploring Conformational Transitions of RNA Dimers via Machine Learning Potentials

  2026 bioRxiv (Cold Spring Harbor Laboratory) preprint Biochemistry, Genetics and Molecular Biology RNA and protein synthesis mechanisms Open access

  0

  citations
• Advancing density functional tight-binding method for large organic molecules through equivariant neural networks

  2026 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Accurate quantification of the stability of the perylene-tetracarboxylic dianhydride on Au(111) molecule–surface interface

  2023 Communications Chemistry article Engineering Surface Chemistry and Catalysis Open access

  5

  citations
• Design Principles for Metastable Standing Molecules

  2022 The Journal of Physical Chemistry C article Engineering Surface Chemistry and Catalysis Open access

  5

  citations
• The stabilization potential of a standing molecule

  2021 Science Advances article Engineering Surface Chemistry and Catalysis Open access

  10

  citations
• Accessing Structural, Electronic, Transport and Mesoscale Properties of Li-GICs via a Complete DFTB Model with Machine-Learned Repulsion Potential

  2021 Materials article Engineering Advancements in Battery Materials Open access

  11

  citations
• Computational approaches to dissociative chemisorption on metals: towards chemical accuracy

  2021 Physical Chemistry Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access

  96

  citations

8 results