DL_POLY_4 Developers' Meeting

Date 6th-7th of November 2017

Venue Daresbury Laboratory, Brunner-Mond Training Room, A56

Aim Core developers of DL_POLY_4 project will meet to discuss ongoing implementation projects and future directions.

Agenda to be confirmed

Invited speakers:

  1. Bill Smith
  2. Dimitar Pashov, King's College London


  1. Ilian Todorov, Daresbury Laboratory
  2. Ian Bush, University of Oxford
  3. Peicho Petkov, University of Sofia, Bulgaria
  4. Alin M Elena, Daresbury Laboratory
  5. Aidan Chalk, Daresbury Laboratory, Hartree Centre
  6. Ivan Scivetti, Daresbury Laboratory
  7. Vlad Sokhan, Daresbury Laboratory
  8. Andrey Brukno, Daresbury Laboratory
  9. Alex Buccheri, University of Bristol
  10. Chin Yong, Daresbury Laboratory
  11. You Lu, Daresbury Laboratory
  12. Jim Madge, Daresbury Laboratory
  13. Tom Keal, Daresbury Laboratory
  14. Kakali Sen, University of Essex/DL
  15. Silvia Chiacchiera, Daresbury Laboratory
  16. Dawn Geatches, Daresbury Laboratory


6th of November:

Slot Speaker Title
13:30-14:00 Ilian Todorov DL_POLY Project Report and Directions
14:00-14:30 Dimitar Pashov Modernising an electronic structure code.
14:30-15:00 You Lu Modern Fortran and Python interfacing
15:00-15:30   Coffee break
15:30-16:00 Chin Yong DL_FIELD
16:00-16:30 Bill Smith On thermostats
16:30-17:00 Alin Elena Continuous Integration for DL_POLY_4
19:00-22:00   Dinner@Ring O'Bells Daresbury

7th of November:

slot Speaker Title
9:30-10:00 Aidan Chalk OpenMP tasks and DL_POLY_4
10:00-10:30 Vlad Sokhan New approaches for predictive multiscale modelling with DL_POLY
10:30-11:00 Alex Buccheri Introducing Density-functional Tight-binding in DL_POLY
11:00-11:30   Coffee break
11:30-12:00 Ivan Scivetti Towards the simulation of reactive processes via non-reactive force fields: implementation of Empirical Valence Bond within DL_POLY
12:00-13:00   Panel Discussion


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