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Back home
  • Search
  • Home
  • About
    • Governance
    • Partners
    • MMM Software
  • Young
    • About Young
    • Access to the MMM Hub
    • Young Events and Training
      • MMM Hub Conference & User Meeting 2023
      • Past Events
  • ExCALIBUR
    • About ExCALIBUR
    • Particles At eXascale on High Performance Computers (PAX-HPC)
    • Meet the team
      • MMM DDWG Project Partners
      • Organisations
    • Work packages
      • Work package 1
      • Work package 2
      • Work package 3
      • Work package 4
      • MMM Software
    • ExCALIBUR events
      • ExCALIBUR – An algorithmic approach to exascale design
      • OneAPI: A Unified, Standards-Based Programming Model
      • MMM Community Case Study Meeting
      • MMM DDWG Outreach
        • MMM DDWG Kick-off Meeting
  • Activities
  • Research
  • Publications
  • Contact
Home » ExCALIBUR » MMM Software

MMM Software

The UK’s MMM community use a range of software to perform materials and molecular simulations. Below is a non-exhaustive list.

BerkeleyGW

CASINO

CASTEP

ChemShell

CP2K

CRYSTAL

DL_POLY

DL_MONTE

Gamess-UK

GROMACS

GULP

FHI-aims

HANDE

LAMMPS

KLMC

Orca

ONETEP

Quantum Espresso

VASP

Contact

For access related enquiries please see our access page.

For service related queries please contact Heather Kelly.

For all other general enquiries please email the Thomas Young Centre Administrator.

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