epskw

Fortran-90 and Matlab codes for computing the nonlocal dielectric susceptibilities of molecular liquids from molecular dynamics trajectory files. It can also compute distance-decomposed dielectric spectra.

IACS RESEARCHERS

Daniel C. Elton

FUNDING

DOE Award No. DE-FG02-09ER16052

WEBSITE

https://github.com/delton137/epskw

JOURNAL REFERENCE

Elton, D. C. and Fernandez-Serra, M.-V. “The hydrogen bond network of water supports propagating optical phonon-like modes” Nat. Comm. 7, 10913 (2016)

Research

See pagesposters
See pagespresentations
See pagesproducts
- See pagesOpen Source Textbook
  - Computational Hydrodynamics for Astrophysics
- See pagesSoftware
  - Astronomy Animations
  - Castro
  - Epskw
  - FTAPI
  - HIFIR
  - Hydro1d
  - Hydro_examples
  - Kist
  - MADNESS
  - Maestro
  - MAPPPD
  - MCLF
  - MediaRank
  - MolStat
  - NamePrism
  - NWChem-Ex
  - OpenMP to Tapir
  - PIMD-F90
  - Pyro
  - RedTyp
  - Spectrumfitter
  - The Flash Code
  - Transport For Inertial Confinement Fusion
  - vLGP
- See pagesVirtual Supercomputer
  - virtu-ALL-izer
See pagesprojects
See pagespublications
Research Day

Research

See pagesposters
See pagespresentations
See pagesproducts
- See pagesOpen Source Textbook
  - Computational Hydrodynamics for Astrophysics
- See pagesSoftware
  - Astronomy Animations
  - Castro
  - Epskw
  - FTAPI
  - HIFIR
  - Hydro1d
  - Hydro_examples
  - Kist
  - MADNESS
  - Maestro
  - MAPPPD
  - MCLF
  - MediaRank
  - MolStat
  - NamePrism
  - NWChem-Ex
  - OpenMP to Tapir
  - PIMD-F90
  - Pyro
  - RedTyp
  - Spectrumfitter
  - The Flash Code
  - Transport For Inertial Confinement Fusion
  - vLGP
- See pagesVirtual Supercomputer
  - virtu-ALL-izer
See pagesprojects
See pagespublications
Research Day