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Fritz Haber Center for Molecular Dynamics

Founded in 1981 by the Hebrew University and the Minerva Foundation

Fritz Haber Center for Molecular Dynamics
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Snapshot research highlights

  • What we do

    Tuned range separated hybrids

    A cure of many ailments of Density Functional approximations

  • Predicting GPCR promiscuity using binding site features

    Predicting GPCR promiscuity using binding site features

    Unraveling structural and chemical features that determine GPCRs’ promiscuity toward their ligands.

  • Molecular dynamics study of photo-induced proton transfer in green fluorescent protein

    The hole in the barrel: Water exchange on GFP chromophores

    Molecular dynamics study of photo-induced proton transfer in green fluorescent protein

  • Given RNA mass, the sequence with highest protein affinity is that with most compact secondary structure

    The role of RNA 'branchedness' in competition for viral capsid proteins

    The most compact RNA sequence has the highest protein affinity

  • Quantum heat machines equivalence, work extraction beyond Markovianity, and strong coupling via heat exchangers

    Quantum heat machines, work and qubits

    It's possible to supercharge a quantum battery: its energy grows while its entropy diminishes.

  • Probabilistic algorithms by multi-chromophoric molecular networks

    Probabilistic algorithms by multi-chromophoric molecular networks

    Application to multiple travelling path

  • Cell spreading on elastic substrates: active mechanics and dynamics

    Cell spreading on elastic substrates: active mechanics and dynamics

    Cell area and force increase simultaneously during spreading but force develops with apparent delay.

  • Is the depletion force entropic? Molecular crowding beyond steric interactions

    Is the depletion force entropic? Molecular crowding beyond steric interactions

    Cosolutes could interact with macromolecules through enthalpic repulsion AND entropic attraction

  • Carbonic Acid

    Formation of Carbonic Acid in Impact of CO2 on Ice and Water

    A new mechanism for the creation of carbonic acid in the atmosphere

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Our research areas

  • Quantum Chemistry & Dynamics
  • Biophysics
  • Light-Induced Processes & Spectroscopy
  • Materials & Electronic Structure
  • Catalysis & Reactions
  • Quantum Statistical Mechanics and Thermodynamics
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