Classical and Quantum Dynamics in Condensed Phase Simulations

• Identification of mechanisms of magnetic transitions using an efficient method for converging on first-order saddle points

  2025 Physical review. B./Physical review. B article Physics and Astronomy Magnetic properties of thin films Open access

  4

  citations
• Automatic potential energy surface exploration by accelerated reactive MD simulations: from pyrolysis to oxidation chemistry

  2023 ChemRxiv preprint Chemical Engineering Advanced Combustion Engine Technologies Open access

  0

  citations
• Heisenberg’s uncertainty principle in the PTOLEMY project: A theory update

  2022 Physical review. D/Physical review. D. article Physics and Astronomy Neutrino Physics Research Open access

  42

  citations
• First-Principles Plane-Wave-Based Exploration of Cathode and Anode Materials for Li- and Na-Ion Batteries Involving Complex Nitrogen-Based Anions

  2022 Chemistry of Materials article Engineering Advancements in Battery Materials

  19

  citations
• Ab initio and experimental oxygen ion conductivities in Sm-Zr and Gd-Zr co-doped ceria

  2020 Solid State Ionics article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  12

  citations
• Cation diffusion in polycrystalline thin films of monoclinic HfO2 deposited by atomic layer deposition

  2020 APL Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  13

  citations
• Infinite dilution in doped ceria and high activation energies

  2020 Solid State Communications article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  5

  citations

7 results