Theory and Computations

Theory and computations lay the conceptual foundations for understanding and quantitatively predicting observed phenomena. The development and application of computational and analytical approaches at various time and lengthscales allow a fundamental understanding of underlying mechanisms, particle-level interactions, macroscopic material properties and reaction processes. They also guide experimental investigations and offer novel design strategies.

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Biological regulation

Quantum molecular dynamics

Prof. Ilya Averbukh

research areas

  • Atomic, Molecular and Optical Physics
    • Light & Matter
    • Nonlinear optics
    • Quantum Optics
    • Spectroscopy & Microscopy
  • Chemical physics
    • Light & matter
    • Molecular dynamics
    • Quantum optics
    • Quantum science and technologies
    • Spectroscopy & microscopy
  • Materials and Nanoscience
    • Advanced spectroscopy & microscopy
  • Theory and Computations
    • Disordered systems
    • Nonlinear dynamics & pattern formation
    • Quantum optics
    • Systems far from equilibrium
Prof. Brian Berkowitz

research areas

  • Earth and Planetary Science
    • Water & Environment
      • Environmental chemistry
      • Health effects of air pollution
      • Hydrology
      • Soils
  • Energy and Sustainability
    • Chemistry and the environment
  • Organic Chemistry
    • Catalysis
  • Structural and Molecular Biology
    • Biomineralization
  • Theory and Computations
    • Disordered systems
    • Nonlinear dynamics & pattern formation
    • Reaction mechanisms
Prof. Eran Bouchbinder

research areas

  • Biological Physics
    • Bio-materials
    • Cell Mechanics & mechanobiology
    • Interfaces
    • Soft and living matter
  • Chemical physics
    • Molecular dynamics
  • Earth and Planetary Science
    • Geophysics
      • Earthquake physics
      • Solid earth
    • Planetary Science
      • “Solid Earth” and “Earthquake physics”
  • Materials and Nanoscience
    • Interfaces
    • Mechanical properties
    • Soft matter
  • Theory and Computations
    • Active matter systems
    • Biopolymers
    • Complex solids and fluids
    • Disordered systems
    • Nonlinear dynamics & pattern formation
    • Soft condensed matter
    • Systems far from equilibrium
    • Theoretical biological physics
  • Theory of living matter
Prof. Barak Dayan

research areas

  • Atomic, Molecular and Optical Physics
    • Light & Matter
    • Nonlinear optics
    • Quantum Optics
    • Quantum information processing
  • Chemical physics
    • Light & matter
    • Quantum optics
    • Quantum science and technologies
  • Theory and Computations
    • Quantum optics
Prof. Nir Gov

research areas

  • Biological Physics
    • Bio-materials
    • Biophysics of animal behavior
    • Cell Mechanics & mechanobiology
    • Macromolecules & membranes
    • Soft and living matter
  • Materials and Nanoscience
    • Self-assembly
    • Soft matter
  • Structural and Molecular Biology
    • Proteins & macromolecular assemblies
  • Supramolecular Chemistry
    • Biomolecular assemblies
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Active matter systems
    • Biopolymers
    • Disordered systems
    • Nonlinear dynamics & pattern formation
    • Soft condensed matter
    • Systems far from equilibrium
    • Theoretical biological physics
  • Theory of living matter
Prof. Yohai Kaspi

research areas

  • Earth and Planetary Science
    • Atmosphere & Climate
      • Atmospheric dynamics
      • Climate change
      • Dynamical meteorology
    • Geophysics
      • Gravity Science
    • Planetary Science
      • Exoplanets
      • Mission hardware
      • Planetary atmospheres
  • Theory and Computations
    • Nonlinear dynamics & pattern formation
Prof. Jacob Klein

research areas

  • Biological Physics
    • Bio-materials
    • Interfaces
    • Macromolecules & membranes
    • Soft and living matter
  • Chemical physics
    • Molecular dynamics
  • Materials and Nanoscience
    • Interfaces
    • Mechanical properties
    • Nano-synthesis & fabrication
    • Self-assembly
    • Soft matter
    • Surface science
  • Structural and Molecular Biology
    • Molecular dynamics & computational approaches
  • Supramolecular Chemistry
    • Biomimicry
    • Biomolecular assemblies
    • Materials
  • Theory and Computations
    • Biopolymers
Prof. Ilan Koren

research areas

  • Earth and Planetary Science
    • Atmosphere & Climate
      • Aerosol chemistry & physics
      • Atmospheric chemistry
      • Atmospheric dynamics
      • Biosphere interactions
      • Climate change
      • Cloud physics
    • Oceanography
      • Ocean-atmosphere interactions
      • Physical oceanography
    • Water & Environment
      • Carbon cycle
      • Hydrology
  • Theory and Computations
    • Nonlinear dynamics & pattern formation
    • Systems far from equilibrium
Prof. Leeor Kronik

research areas

  • Chemical physics
    • Molecular dynamics
    • Molecular electronics
    • Spectroscopy & microscopy
    • Spin physics
    • Surface science
  • Energy and Sustainability
    • Storage & conversion
    • Sustainable materials
  • Materials and Nanoscience
    • Advanced spectroscopy & microscopy
    • Interfaces
    • Mechanical properties
    • Optical and electronic properties
    • Surface science
  • Organic Chemistry
    • Molecular modeling
    • Supramolecular chemistry
  • Supramolecular Chemistry
    • Materials
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Electronic structure & excited state methods
    • Materials science
Prof. Gershon Kurizki

research areas

  • Atomic, Molecular and Optical Physics
    • Light & Matter
    • Quantum Optics
    • Quantum information processing
  • Chemical physics
    • Light & matter
    • Quantum optics
    • Quantum science and technologies
  • Theory and Computations
    • Quantum optics
Prof. Koby Levy

research areas

  • Biological Physics
    • Protein dynamics
  • Chemical Biology
    • Bio-conjugation & protein modifications
    • Molecular modeling
  • Chemical physics
    • Molecular dynamics
  • Structural and Molecular Biology
    • Molecular dynamics & computational approaches
    • Nucleic acids
    • Proteins & macromolecular assemblies
  • Supramolecular Chemistry
    • Biomolecular assemblies
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Biopolymers
    • Disordered systems
    • Molecular modelling & docking
Prof. Emmanuel Doram Levy

research areas

  • Biological Physics
    • Bio-materials
    • Soft and living matter
  • Chemical Biology
    • Molecular modeling
  • Materials and Nanoscience
    • Self-assembly
  • Structural and Molecular Biology
    • Evolution & allostery
    • Molecular dynamics & computational approaches
    • Proteins & macromolecular assemblies
  • Supramolecular Chemistry
    • Biomolecular assemblies
  • Theory and Computations
    • Biological regulation
    • Molecular modelling & docking
Dr. Nir London

research areas

  • Chemical Biology
    • Bio-conjugation & protein modifications
    • Bio-organic chemistry
    • Chemical probes & inhibitor design
    • Drug discovery & translational research
    • Molecular modeling
    • Molecular sensors and probes
  • Organic Chemistry
    • Chemical biology & medicinal chemistry
  • Structural and Molecular Biology
    • Molecular dynamics & computational approaches
    • Proteins & macromolecular assemblies
    • X-ray crystallography
  • Theory and Computations
    • Molecular modelling & docking
Prof. Gershom (Jan) Martin

research areas

  • Chemical Biology
    • Molecular modeling
  • Chemical physics
    • Quantum science and technologies
  • Organic Chemistry
    • Catalysis
    • Chemical biology & medicinal chemistry
    • Metal-ligand coordination
    • Molecular modeling
    • Supramolecular chemistry
  • Structural and Molecular Biology
    • Molecular dynamics & computational approaches
  • Supramolecular Chemistry
    • Catalysis
    • Metal-ligand coordination
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Electronic structure & excited state methods
    • Molecular modelling & docking
    • Reaction mechanisms
Prof. Eli Pollak

research areas

  • Biological Physics
    • Protein dynamics
  • Chemical physics
    • Molecular dynamics
    • Quantum science and technologies
    • Spectroscopy & microscopy
    • Surface science
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Nonlinear dynamics & pattern formation
    • Reaction mechanisms
    • Systems far from equilibrium
Prof. Itamar Procaccia

research areas

  • Materials and Nanoscience
    • Mechanical properties
    • Soft matter
  • Theory and Computations
    • Complex solids and fluids
    • Disordered systems
    • Materials science
    • Nonlinear dynamics & pattern formation
    • Soft condensed matter
    • Systems far from equilibrium
Dr. Sivan Refaely-Abramson

research areas

  • Chemical physics
    • Light & matter
    • Quantum science and technologies
    • Spectroscopy & microscopy
    • Spin physics
    • Surface science
  • Energy and Sustainability
    • Energy storage & conversion devices
    • Storage & conversion
    • Sustainable materials
  • Materials and Nanoscience
    • Interfaces
    • Optical and electronic properties
    • Surface science
  • Organic Chemistry
    • Catalysis
    • Green chemistry & energy
    • Materials & nanochemistry
  • Theory and Computations
    • Ab initio and classical computational approaches
    • Electronic structure & excited state methods
    • Materials science
Prof. Samuel Safran

research areas

  • Biological Physics
    • Bio-materials
    • Cell Mechanics & mechanobiology
    • Interfaces
    • Macromolecules & membranes
    • Soft and living matter
  • Materials and Nanoscience
    • Interfaces
    • Mechanical properties
    • Self-assembly
    • Soft matter
  • Structural and Molecular Biology
    • Proteins & macromolecular assemblies
  • Supramolecular Chemistry
    • Biomolecular assemblies
    • Materials
  • Theory and Computations
    • Active matter systems
    • Biopolymers
    • Materials science
    • Nonlinear dynamics & pattern formation
    • Soft condensed matter
    • Theoretical biological physics
  • Theory of living matter
Dr. Sergey Semenov

research areas

  • Chemical Biology
    • Molecular sensors and probes
  • Energy and Sustainability
    • Catalysis
    • Synthesis
  • Materials and Nanoscience
    • Self-assembly
    • Soft matter
  • Organic Chemistry
    • Catalysis
    • Electrochemistry
    • Green chemistry & energy
    • Metal-ligand coordination
    • Supramolecular chemistry
    • Synthesis
    • Systems chemistry
    • X-ray crystallography
  • Supramolecular Chemistry
    • Biomimicry
    • Biomolecular assemblies
    • Catalysis
    • Materials
    • Metal-ligand coordination
    • Molecular-based devices
    • Synthesis
    • Systems chemistry
  • Theory and Computations
    • Nonlinear dynamics & pattern formation
    • Reaction mechanisms
    • Systems far from equilibrium
Dr. Ephraim Shahmoon

research areas

  • Atomic, Molecular and Optical Physics
    • Light & Matter
    • Nonlinear optics
    • Quantum Optics
    • Quantum information processing
  • Chemical physics
    • Light & matter
    • Quantum optics
    • Quantum science and technologies
  • Theory and Computations
    • Quantum optics
Dr. Ulyana Shimanovich

research areas

  • Biological Physics
    • Bio-materials
    • Soft and living matter
  • Materials and Nanoscience
    • Mechanical properties
    • Nano-synthesis & fabrication
    • Optical and electronic properties
    • Self-assembly
    • Soft matter
  • Organic Chemistry
    • Materials & nanochemistry
    • Supramolecular chemistry
  • Structural and Molecular Biology
    • Proteins & macromolecular assemblies
  • Supramolecular Chemistry
    • Biomimicry
    • Biomolecular assemblies
    • Molecular-based devices
  • Theory and Computations
    • Complex solids and fluids
Prof. Joel Sussman

research areas

  • Biological Physics
    • Protein dynamics
  • Chemical Biology
    • Drug discovery & translational research
    • Molecular modeling
  • Chemical physics
    • Molecular dynamics
  • Organic Chemistry
    • X-ray crystallography
  • Structural and Molecular Biology
    • Electron microscopy
    • Evolution & allostery
    • Molecular dynamics & computational approaches
    • Nucleic acids
    • Proteins & macromolecular assemblies
    • X-ray crystallography
  • Supramolecular Chemistry
    • Biomolecular assemblies
  • Theory and Computations
    • Disordered systems
    • Molecular modelling & docking
Prof. David Tannor

research areas

  • Atomic, Molecular and Optical Physics
    • Light & Matter
  • Chemical physics
    • Light & matter
    • Molecular dynamics
    • Quantum optics
    • Quantum science and technologies
  • Theory and Computations
    • Quantum molecular dynamics
    • Reaction mechanisms