Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules

• Roadmap collaborative research on structured magnetic elastomers and their material behavior–bridging from fundamental and materials science to educational science

  2026 The European Physical Journal E article Engineering Vibration Control and Rheological Fluids Open access

  0

  citations
• Time-resolved investigation of photocatalytic allene deracemization with kinetic modeling and force-field-based molecular dynamics

  2026 The Journal of Chemical Physics article Chemistry Photochemistry and Electron Transfer Studies Open access

  0

  citations
• Vibrational Energy Relaxation in Solid Carbon Monoxide

  2024 The Journal of Physical Chemistry C article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access

  7

  citations
• VENICE: A multi-scale operator-splitting algorithm for multi-physics simulations

  2024 Astronomy and Astrophysics article Physics and Astronomy Stellar, planetary, and galactic studies Open access

  1

  citations
• Ultrafast Photoinduced Dynamics in 1,3-Cyclohexadiene: A Comparison of Trajectory Surface Hopping Schemes†

  2024 Journal of Chemical Theory and Computation article Physics and Astronomy Spectroscopy and Quantum Chemical Studies Open access

  7

  citations
• Swift : a modern highly parallel gravity and smoothed particle hydrodynamics solver for astrophysical and cosmological applications

  2024 Monthly Notices of the Royal Astronomical Society article Physics and Astronomy Galaxies: Formation, Evolution, Phenomena Open access

  107

  citations
• Photochemical formation of the elusive Dewar isomers of aromatic systems: why are substituted azaborines different?

  2024 Physical Chemistry Chemical Physics article Chemistry Chemical Reactions and Mechanisms Open access

  17

  citations
• Oxygen grain-boundary diffusion in (La,Sr)FeO 3− δ perovskite-oxides probed by molecular-dynamics simulations

  2024 RSC Applied Interfaces article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  11

  citations
• A hybrid approach for solving the gravitational N-body problem with Artificial Neural Networks

  2023 Journal of Computational Physics article Physics and Astronomy Model Reduction and Neural Networks Open access

  7

  citations
• Watching Molecular Nanotubes Self-Assemble in Real Time

  2023 Journal of the American Chemical Society article Materials Science Supramolecular Self-Assembly in Materials Open access

  11

  citations
• The two enantiomers of 2-hydroxyglutarate differentially regulate cytotoxic T cell function

  2023 Cell Reports article Immunology and Microbiology T-cell and B-cell Immunology Open access

  18

  citations
• The Sluggish Diffusion of Cations in CeO2 Probed through Molecular Dynamics and Metadynamics Simulations

  2023 Advanced Engineering Materials article Materials Science Advancements in Solid Oxide Fuel Cells Open access

  7

  citations
• Azobenzene-Based Amino Acids for the Photocontrol of Coiled-Coil Peptides

  2023 Bioconjugate Chemistry article Materials Science Photochromic and Fluorescence Chemistry Open access cited by 1 patent

  10

  citations
• Molecular Mechanics of Disordered Solids

  2023 Archives of Computational Methods in Engineering article Materials Science Microstructure and mechanical properties Open access

  25

  citations
• Chaos in self-gravitating many-body systems

  2021 Astronomy and Astrophysics article Physics and Astronomy Stellar, planetary, and galactic studies Open access

  29

  citations
• Relativistic Pythagorean three-body problem

  2021 Physical review. D/Physical review. D. article Physics and Astronomy Pulsars and Gravitational Waves Research Open access

  16

  citations
• Beyond the static corrugation model: Dynamic surfaces with the embedded atom method

  2021 The Journal of Chemical Physics article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  14

  citations
• Non-intrusive hierarchical coupling strategies for multi-scale simulations in gravitational dynamics

  2020 Communications in Nonlinear Science and Numerical Simulation article Mathematics Numerical methods for differential equations Open access

  16

  citations
• Assessment and optimization of the fast inertial relaxation engine (fire) for energy minimization in atomistic simulations and its implementation in lammps

  2020 Computational Materials Science article Chemistry Advanced Physical and Chemical Molecular Interactions Open access

  242

  citations

19 results