Workshop on High Performance Computing and
Big Data in Molecular Engineering (HBME)
In conjunction with HiPC 2016
19 December 2016
Hyderabad International Conference Centre, Hyderabad, India
Technical Program
HBME : Session 1 (Chair: J. K. Singh) |
2:00 - 2:50 PM |
Keynote: Transitions to and from jammed states in glasses and sphere packings under shear deformation. |
Speaker: Prof. S. Sastry, JNCASR, Bengaluru |
2:55 - 3:20 PM |
Technical Paper 1 Presentation – HBME01 |
Title : Towards understanding optimal load balancing of heterogeneous short-range molecular dynamics Presenter: S. Hirschmann, D. Pflüger, C. W. Glass |
3:25 - 3:50 PM |
Technical Paper 2 Presentation – HBME02 |
Title: Molecular dynamics simulation of nanoscopic Couette flow and lubricated nano-indentation Authors: S. Stephan, M. P. Lautenschläger, M. T. Horsch, H. Hasse |
3:55 - 4:40 PM |
Break |
HBME : Session 2 (Chair: C. W. Glass) |
4:40 - 5:05 PM |
Technical Paper 3 Presentation – HBME03 |
Title: In-silico skin model: A tool for virtual testing of formulations Authors: R. Gupta, B. S. Dwadasi, B. Rai |
5:10 - 5:35 PM |
Technical Paper 4 Presentation – HBME04 |
Title: Insight into the nature of evaporation processes enabled by massively parallel molecular dynamics simulations Authors: M. Heinen, R. S. Chatwell, J. Vrabec |
5:40 - 6:05 PM |
Technical Paper 5 Presentation – HBME05 |
Title: Round robin study of molecular simulation programs Authors: M. Schappals, H. Hasse |