Kylee Santos
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View article: Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware
Breaking the mold: Overcoming the time constraints of molecular dynamics on general-purpose hardware Open
The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…
View article: Breaking the mold: overcoming the time constraints of molecular dynamics on general-purpose hardware
Breaking the mold: overcoming the time constraints of molecular dynamics on general-purpose hardware Open
The evolution of molecular dynamics (MD) simulations has been intimately linked to that of computing hardware. For decades following the creation of MD, simulations have improved with computing power along the three principal dimensions of…
View article: Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System
Breaking the Molecular Dynamics Timescale Barrier Using a Wafer-Scale System Open
Molecular dynamics (MD) simulations have transformed our understanding of the nanoscale, driving breakthroughs in materials science, computational chemistry, and several other fields, including biophysics and drug design. Even on exascale …