Openatom: Scalable ab-initio molecular dynamics with diverse capabilities

N Jain, E Bohm, E Mikida, S Mandal, M Kim… - … Conference, ISC High …, 2016 - Springer
The complex interplay of tightly coupled, but disparate, computation and communication
operations poses several challenges for simulating atomic scale dynamics on multi …

Openatom: Scalable AB-initio molecular dynamics with diverse capabilities

N Jain, E Bohm, E Mikida, S Mandal… - … Conference on High …, 2016 - experts.illinois.edu
The complex interplay of tightly coupled, but disparate, computation and communication
operations poses several challenges for simulating atomic scale dynamics on multi …

[PDF][PDF] OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities

N Jain, E Bohm, E Mikida, S Mandal, M Kim, P Jindal… - academia.edu
The complex interplay of tightly coupled, but disparate, computation and communication
operations poses several challenges for simulating atomic scale dynamics on multi …

[PDF][PDF] OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities

N Jain, E Bohm, E Mikida, S Mandal, M Kim, P Jindal… - charm.cs.illinois.edu
The complex interplay of tightly coupled, but disparate, computation and communication
operations poses several challenges for simulating atomic scale dynamics on multi …

OpenAtom: Scalable Ab-Initio Molecular Dynamics with Diverse Capabilities

M Kim, P Jindal, Q Li, S Ismail-Beigi… - … , Germany, June 19 …, 2016 - books.google.com
The complex interplay of tightly coupled, but disparate, computation and communication
operations poses several challenges for simulating atomic scale dynamics on multi …