Ab‐initio simulations of materials using VASP: Density‐functional theory and beyond

• Structural Stability, Bonding, and Magnetism in the TiMOs 2 B 2 Series (M = Cr–Ni): Insights into Frustration, High- T C Ferromagnetism, and Off-Stoichiometry

  2026 Inorganic Chemistry article Physics and Astronomy Advanced Condensed Matter Physics

  0

  citations
• Atomic-scale insights into interfacial thermal transport in AlN/Al₂O₃ Heterostructures via deep potential molecular dynamics

  2026 Surfaces and Interfaces article Materials Science Thermal properties of materials

  1

  citations
• Grand Challenges and Opportunities in Stimulated Dynamic and Resonant Catalysis

  2026 ACS Catalysis article Physics and Astronomy Laser-Matter Interactions and Applications Open access

  8

  citations
• Tellurides as Zintl phases—to be or not to be?

  2025 Japanese Journal of Applied Physics article Materials Science Advanced Thermoelectric Materials and Devices Open access

  1

  citations
• Electrodeposited NiFe-succinate for the oxygen evolution reaction in anion exchange membrane water electrolysis

  2025 Fuel article Energy Electrocatalysts for Energy Conversion Open access

  3

  citations
• Anderson’s negative- U chemistry in amorphous silicon nitride: A complex system approach

  2025 Science Advances article Engineering Semiconductor materials and devices Open access

  6

  citations
• Tellurides as Zintl phases?

  2025 Journal of Physics Condensed Matter article Materials Science Crystal Structures and Properties Open access

  4

  citations
• The effect of NO and CO on the Rh(100) surface at room temperature and atmospheric pressure

  2024 Surface Science article Materials Science Catalytic Processes in Materials Science Open access

  0

  citations
• Dependence of Oxygen Diffusion on the La and Sr Configuration in Melilite-Type La 1+ x Sr 1– x Ga 3 O 7+ x /2 by Neural Network Potential Molecular Dynamics Simulation

  2024 The Journal of Physical Chemistry C article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  3

  citations
• Solvent-mediated oxide hydrogenation in layered cathodes

  2024 Science article Engineering Advancements in Battery Materials Open access cited by 1 patent

  68

  citations
• The new High-TC metamagnetic boride Ti2FeOs3B3 containing Fe-ladders: Experimental and computational investigations

  2024 Solid State Sciences article Physics and Astronomy Rare-earth and actinide compounds Open access

  1

  citations
• divERGe implements various Exact Renormalization Group examples

  2024 SciPost Physics Codebases article Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  19

  citations
• Report on 2311.07667v1

  2023 peer-review Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  0

  citations
• divERGe implements various Exact Renormalization Group examples

  2023 arXiv (Cornell University) preprint Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  0

  citations
• Switchable Chemical‐Bond Reorganization for the Stable Charge Trapping in Amorphous Silicon Nitride

  2023 Advanced Materials article Engineering Semiconductor materials and devices Open access

  17

  citations
• Exploring the Interdependence between Electronically Unfavorable Situations and Pressure in a Chalcogenide Superconductor

  2023 Inorganics article Physics and Astronomy Physics of Superconductivity and Magnetism Open access

  2

  citations
• Indium Selenide/Antimonene Heterostructure for Multifunctional Optoelectronics

  2022 IEEE Transactions on Electron Devices article Materials Science 2D Materials and Applications Open access

  11

  citations
• Hybridization of carbon nanotube tissue and MnO2 as a generic advanced air cathode in metal–air batteries

  2021 Journal of Power Sources article Engineering Advancements in Battery Materials

  6

  citations
• Nb 6 Mn 1– x Ir 6+ x B 8 ( x = 0.25): A Ferrimagnetic Boride Containing Planar B 6 Rings Interacting with Ferromagnetic Mn Chains

  2021 The Journal of Physical Chemistry C article Physics and Astronomy Advanced Condensed Matter Physics

  3

  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

20 results