Job Characteristics on Large-Scale Systems: Long-Term Analysis, Quantification, and Implications Publications 2020 International Conference for High Performance Computing, Networking, Storage, and Analysis
Computational design of mixed chirality peptide macrocycles with internal symmetry Publications Protein Science
Macromolecular modeling and design in Rosetta: recent methods and frameworks Publications Nature Methods
The emerging role of computational design in peptide macrocycle drug discovery Publications Expert Opinion on Drug Discovery
A Code-Agnostic Driver Application for Coupled Neutronics and Thermal-Hydraulic Simulations Publications Nuclear Science & Engineering
Interface capturing simulations of bubble population effects in PWR subchannels Publications Nuclear Engineering & Design
Exploring Two-Phase Flow Regime Transition Mechanisms Using High-Resolution Virtual Experiments Publications Nuclear Science & Engineering