Skip to main content
PSI
Centers & Labs
close
Center & Labs To overview
  • PSI Center for Neutron and Muon Sciences
    PSI Center for Neutron and Muon Sciences To overview
    • Laboratory for Particle Physics
    • Laboratory for Neutron Scattering and Imaging
    • Laboratory for Muon Spin Spectroscopy
    • Laboratory for Neutron and Muon Instrumentation
    • Laboratory for Multiscale Materials Experiments
  • PSI Center for Photon Science
    PSI Center for Photon Science To overview
    • Laboratory for Macromolecules and Bioimaging
    • Laboratory for X-ray Nanoscience and Technologies
    • Laboratory Condensed Matter
    • Laboratory for Synchrotron Radiation and Femtochemistry
    • Laboratory for Advanced Spectroscopy and X-ray Sources
    • Laboratory for Non-linear Optics
    • Laboratory for Nano and Quantum Technologies
  • PSI Center for Energy and Environmental Sciences
    PSI Center for Energy and Environmental Sciences To overview
    • Laboratory for Sustainable Energy Carriers and Processes
    • Electrochemistry Laboratory
    • Laboratory of Atmospheric Chemistry
    • Laboratory for Catalysis and Sustainable Chemistry
    • Laboratory for Energy Systems Analysis
    • Laboratory for Battery Science
  • PSI Center for Nuclear Engineering and Sciences
    PSI Center for Nuclear Engineering and Sciences To overview
    • Laboratory for Reactor Physics and Thermal-Hydraulics
    • Hot Laboratory
    • Laboratory for Waste Management
    • Laboratory for Energy Systems Analysis
    • Laboratory for Nuclear Materials
    • Laboratory of Radiochemistry
  • PSI Center for Life Sciences
    PSI Center for Life Sciences To overview
    • Center for Radiopharmaceutical Sciences
    • Laboratory of Biomolecular Research
    • Laboratory of Multiscale Bioimaging
  • PSI Center for Scientific Computing, Theory and Data
    PSI Center for Scientific Computing, Theory and Data To overview
    • Laboratory for Simulation and Modelling
    • Computational and Theoretical Physics
    • Laboratory for Materials Simulations
    • Science IT Infrastructure and Services
  • PSI Center for Accelerator Science and Engineering
    PSI Center for Accelerator Science and Engineering To overview
    • Accelerator Operation and Development (ASA)
    • Electronics and Control Systems (AEK)
    • Accelerator Technology (ABT)
  • PSI Center for Corporate Services
    PSI Center for Corporate Services To overview
    • Finanzen und Dienste
    • Immobilien und Betrieb
    • Infrastruktur und Elektroinstallationen
    • Informationstechnologie
    • Abteilung Strahlenschutz und Sicherheit
    • Kommunikation

Labs, Groups & Projects

Facilities & User Services
close
  • Large Research Facilities
    Large Research Facilities To overview
    • SwissFEL – Swiss X-ray Free Electron Laser
    • SLS – Swiss Light Source
    • SINQ – Swiss Spallation Neutron Source
    • SμS – Swiss Muon Source
    • CHRISP – Swiss Research Infrastructure for Particle Physics
  • User Office
    User Office To overview
    • Data Analysis Service
    • Digital User Office (DUO)
    • EU support programmes
    • Methods at the PSI User Facilities
    • PSI Guest House
    • Proposal Deadlines
    • Proposals for Beam Time

Navi Right

  • PSI Home
  • Jobs
  • Persons
  • Contact
  • PSI Shop
    Language
  • Deutsch
  • English
  • Français

(Rebranding) Top Search

  • Search
Laboratory for Materials Simulations
close
  • About the Lab
    About the Lab To overview
    close
    • Organisation
      • People
        • Alumni LMS
    • Partners
    Contact
    Nicola Marzari
    Prof. Dr. Nicola Marzari

    Head of Laboratory

    +41 56 310 46 88
    nicola.marzari@psi.ch
    Nadja Ebner
    Nadja Ursula Ebner

    Assistant

    +41 56 310 42 88
    nadja.ebner@psi.ch
    Useful links
    • How to find us
  • Research
    Research
    close
    • Research Groups
    • Funded projects
    • Software & Data
    Contact
    Nicola Marzari
    Prof. Dr. Nicola Marzari

    Head of Laboratory

    +41 56 310 46 88
    nicola.marzari@psi.ch
    Nadja Ebner
    Nadja Ursula Ebner

    Assistant

    +41 56 310 42 88
    nadja.ebner@psi.ch
    Useful links
    • How to find us
  • Publications
  • Openings
  • News & Events
    News & Events To overview
    close
    • News & Highlights
    • Events
    Contact
    Nicola Marzari
    Prof. Dr. Nicola Marzari

    Head of Laboratory

    +41 56 310 46 88
    nicola.marzari@psi.ch
    Nadja Ebner
    Nadja Ursula Ebner

    Assistant

    +41 56 310 42 88
    nadja.ebner@psi.ch
    Useful links
    • How to find us

Navi Right (Mobile)

  • PSI Home
  • Jobs
  • Persons
  • Contact
  • PSI Shop
    Language
  • Deutsch
  • English
  • Français

(Rebranding) Top Search

  • Search

You are here:

  1. PSI Home
  2. PSI Center for Scientific Computing, Theory and Data
  3. Laboratory for Materials Simulations
  4. About the Lab

Partners

BIG-MAP logo
CEA logo
EC logo
eDF logo
EPFL logo
ETHZ logo
KIT logo
INSPYRE logo
EERA-JPNM logo
KTH logo
MARVEL logo
MaX logo
NEA logo
Swissnuclear logo
THEOS logo

For the media

  • Media Releases
  • Contact media centre
  • PSI in brief
  • PSI in numbers

Research

  • PSI Center Highlights
  • Facilities
  • User Office

Industry

  • Contact Persons
  • PSI Spin-offs
  • Cooperations

Career

  • Job Opportunities
  • Working at PSI
  • Vocational Training
  • Courses at psi

Visit

  • Individual visit
  • For school classes
  • PSI Gastronomy
  • How to find us

Paul Scherrer Institute PSI

Forschungsstrasse 111

5232 Villigen PSI

Switzerland

+41 56 310 21 11

Contact form

Personal Directory

Footer legal

  • Imprint
  • Terms and conditions / Privacy policy
  • Editors' Login

© 2024 PSI