Exploring Energy Landscapes

• An Efficient Exciton Coupling Scheme Based on Simplified Time-Dependent Density Functional Theory

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  1

  citations
• Tensor Train Optimization for Conformational Sampling of Organic Molecules

  2025 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies Open access

  9

  citations
• Forged by charge: polaron-induced matrix formation in silicon nitride conversion-type anodes for lithium-ion batteries

  2025 Journal of Materials Chemistry A article Engineering Advancements in Battery Materials Open access

  4

  citations
• CREST—A program for the exploration of low-energy molecular chemical space

  2024 The Journal of Chemical Physics article Physics and Astronomy Advanced Chemical Physics Studies Open access cited by 2 patents

  573

  citations
• Finding Excited-State Minimum Energy Crossing Points on a Budget: Non-Self-Consistent Tight-Binding Methods

  2023 The Journal of Physical Chemistry Letters article Physics and Astronomy Advanced Chemical Physics Studies Open access

  17

  citations
• Fast Screening of Minimum Energy Crossing Points with Semiempirical Tight-Binding Methods

  2022 Journal of Chemical Theory and Computation article Physics and Astronomy Advanced Chemical Physics Studies

  22

  citations

6 results