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🚨 New paper alert! I'm thrilled to announce that the paper I worked on for my master's thesis at EPFL is finally published! Find it here! pubs.aip.org/aip/jcp/arti...
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Optimal exploitation of supercomputing resources for the evaluation of electrostatic forces remains a challenge in molecular dynamics simulations of very large
pubs.aip.org
Mass-zero constrained molecular dynamics for electrostatic interactions
Jayashree Narayan