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Examining the Origins of Observed Terahertz Modes from an Optically Pumped Atomistic Model Protein in Aqueous Solution

Publications PNAS Nexus

Cloud Services Enable Efficient AI-Guided Simulation Workflows across Heterogeneous Resources

Publications 2023 IEEE International Parallel and Distributed Processing Symposium Workshops (IPDPSW)

The Diminishing Returns of Masked Language Models to Science

Publications Findings of the Association for Computational Linguistics: ACL 2023

Accelerating Communications in Federated Applications with Transparent Object Proxies

Publications SC '23: Proceedings of the International Conference for High Performance Computing, Networking, Storage and Analysis

Uncertainty Quantification of a Deep Learning Fuel Property Prediction Model

Publications Applications in Energy and Combustion Science

Machine Learning for Interconnect Network Traffic Forecasting: Investigation and Exploitation

Publications SIGSIM-PADS '23: Proceedings of the 2023 ACM SIGSIM Conference on Principles of Advanced Discrete Simulation

Hybrid PDES Simulation of HPC Networks Using Zombie Packets

Publications SIGSIM-PADS '23: Proceedings of the 2023 ACM SIGSIM Conference on Principles of Advanced Discrete Simulation

Molecular Dynamics Simulation of Mechanical Properties of Carbon Nanotube Reinforced Cellulose

Publications Journal of Molecular Modeling

Scalable Lead Prediction with Transformers using HPC Resources

Publications SC-W '23: Proceedings of the SC '23 Workshops of The International Conference on High Performance Computing, Network, Storage, and Analysis

Standardizing Complex Numbers in SYCL

Publications IWOCL '23: Proceedings of the 2023 International Workshop on OpenCL

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