We develop a generalizable AI-driven workflow that leverages heterogeneous HPC
resources to explore the time-dependent dynamics of molecular systems. We use this …

Exploring the mechanisms underlying the toxicity of amyloid oligomers (AOs) presents a
significant opportunity for discovering cures and developing treatments for …

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication
transcription complex (RTC) is a multi-domain protein responsible for replicating and …

The severe acute respiratory syndrome coronavirus-2 (SARS-CoV-2) replication
transcription complex (RTC) is a multi-domain protein responsible for replicating and …

The need for load balancing in applications with irregular parallelism has motivated
research on work stealing. An important choice in work-stealing schedulers is between child …

As modern neuroscience tools acquire more details about the brain, the need to move
towards biological-scale neural simulations continues to grow. However, effective …

Elliptic partial differential equations must be solved numerically for many problems in
numerical relativity, such as initial data for every simulation of merging black holes and …

Brownian coating thermal noise in detector test masses is limiting the sensitivity of current
gravitational-wave detectors on Earth. Therefore, accurate numerical models can inform the …

My work also has applications beyond numerical relativity, since elliptic PDEs are common
in many areas of physics. One such application is the simulation of thermal noise in thin …

Data movement between host and accelerators is one of the most challenging aspects of
developing applications for heterogeneous systems. Most existing runtime systems for …