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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 

Programme committee

Organizing committee