Rethinking carbon footprint metrics for effective carbon-aware scheduling? Enhanced physics-informed neural networks? Turbulent Star Formation in the Early Universe? A selection of recent publications featuring research using the MGHPCC.
Airas, Justin and Bin Zhang (2024), Scaling Graph Neural Networks to Large Proteins, arXiv: 2410.03921 [physics.chem-ph]
Balla, Julia et al (2024), A Cosmic-Scale Benchmark for Symmetry-Preserving Data Processing, arXiv: 2410.20516 [cs.LG]
Bashir, N. et al (2024), The Sunk Carbon Fallacy: Rethinking Carbon Footprint Metrics for Effective Carbon-Aware Scheduling, arXiv: 2410.15087 [cs.DC]
BICEP/Keck Collaboration (2024), BICEP/Keck XVIII: Measurement of BICEP3 polarization angles and consequences for constraining cosmic birefringence and inflation, arXiv: 2410.12089 [astro-ph.CO]
Blais, Christopher J. et al (2024), Uncertainty Quantification of Linear Scaling, Machine Learning, and Density Functional Theory Derived Thermodynamics for the Catalytic Partial Oxidation of Methane on Rhodium, The Journal of Physical Chemistry C, doi: 10.1021/acs.jpcc.4c05107
Blot, Nathalie et al (2024), How host mobility patterns shape antigenic escape during viral-immune co-evolution, arXiv: 2410.17418 [q-bio.PE]
Bokade, Rohit and Xiaoning Jin (2024), PyTSC: A Unified Platform for Multi-Agent Reinforcement Learning in Traffic Signal Control, arXiv: 2410.18202 [cs.MA]
Byun, Chansup et al (2024), LLload: An Easy-to-Use HPC Utilization Tool, arXiv: 2410.21036 [cs.PF]
Chayapathy, Dhruva et al (2024), Time Series Viewmakers for Robust Disruption Prediction, arXiv: 2410.11065 [cs.LG]
Fu, Beverly et al (2024), Discovery of a New Class of Aminoacyl Radical Enzymes Expands Nature’s Known Radical Chemistry, Journal of Amerian Chemical Society, doi: 10.1021/jacs.4c10348
Govertsen, Krissy and Michael Kane (2024), Measuring health inequities due to housing characteristics, Buildings and Cities, doi: 10.5334/bc.412
Jones, D.O. et al (2024), Blast: a Web Application for Characterizing the Host Galaxies of Astrophysical Transients, arXiv: 2410.17322 [astro-ph.HE]
Haldar, Anubhab et al (2024), Machine learning electron-phonon interactions in two-dimensional semiconducting materials: The case of zero-point renormalization, Physical Review Materials, doi: 10.1103/PhysRevMaterials.8.L101001
Hsu, Alan et al (2024), Reconstructing Galaxy Cluster Mass Maps using Score-based Generative Modeling, arXiv: 2410.02857 [astro-ph.CO]
Vindula Jayawardana et al (2024), INTERSECTIONZOO: Eco-driving for benchmarking multi-agent contextual reinforcement learning, arXiv: 2410.15221 [cs.LG]
Aaron Alvarado Kristanto Julistiono et al (2024), Optimizing Attention with Mirror Descent: Generalized max-margin token selection, arXiv: 2410.14581 [cs.LG]
Kumar, Ajesh et al (2024), Unconventional superconductivity mediated by exciton density wave fluctuations, arXiv: 2410.09148 [cond-mat.str-el]
Li, Deng and Mona S. Minkara (2024), Comparative Assessment of Water Models in Protein–Glycan Interaction: Insights from Alchemical Free Energy Calculations and Molecular Dynamics Simulations, Journal of Chemical Information and Modeling, doi: 10.1021/acs.jcim.4c01361
Lin, Zifan et al (2024), Most High-density Exoplanets Are Unlikely to Be Remnant Giant-planet Cores, arXiv: 2410.12640 [astro-ph.EP]
Liu, Mengren Bill and Bilge Yildiz (2024), Onset Reaction Mechanism of Cr and S Poisoning on Perovskite Oxide Surfaces, Chemistry of Materials, doi: 10.1021/acs.chemmater.4c01936
Maharjan, Samjhana et al (2024), Recyclable All-in-one Organo-Photo-Auxiliaries Enabling (sp3)C–(sp3)C Coupling Reactions with Diverse Functionalities, Advanced Synthesis and Catalysis, doi: 10.1002/adsc.202400899
Mazumder, Rahul and Haoyue Wang (2024), PolyCD: Optimization via Cycling through the Vertices of a Polytope, SIAM Journal of Optimization, doi: 10.1137/23M1558975
Min, Youngjae et al (2024), Hard-constrained Neural Networks with Universal Approximation Guarantees, arXiv: 2410.10807 [cs.LG]
Nair, Vineet Jagadeesan (2024), Enhanced physics-informed neural networks (PINNs) for high-order power grid dynamics, arXiv:2410.07527 [cs.LG]
Nam, Juno et al (2024), Flow Matching for Accelerated Simulation of Atomic Transport in Materials, arXiv: 2410.01464 [cond-mat.mtrl-sci]
Semenov, Vadim A. et al (2024), How Early Could the Milky Way’s Disk Form, arXiv: 2409.18173 [astro-ph.GA]
Semenov, Vadim A. et al (2024), From UV-bright Galaxies to Early Disks: the Importance of Turbulent Star Formation in the Early Universe, arXiv: 2410.09205 [astro-ph.GA]
Subramanian, Akshay et al (2024), Symmetry-Constrained Generation of Diverse Low-Bandgap Molecules with Monte Carlo Tree Search, arXiv: 2410.08833 [physics.chem-ph]
Yang, Yongyi et al (2024), Dynamics of Concept Learning and Compositional Generalization, arXix: 2410.08309 [cs.LG]
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