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October 2025 Publications

November 3, 2025

On-the-fly nonadiabatic dynamics? Subgrid turbulence in large-eddy simulations? Additive Bayesian optimization? A selection of recent publications featuring research using the MGHPCC.

Ahmat Ibrahim, S., Meng, S., Milhans, C. et al. (2025), Interpretable machine learning-guided plasma catalysis for hydrogen production, Nat Chem Eng, doi: 10.1038/s44286-025-00287-7 

Amoudruz, Lucas et al (2025), Bayesian Inference for PDE-based Inverse Problems using the Optimization of a Discrete Loss, arXiv: 2510.15664 [stat.ME] 

Barquilla, M. D. P., Chung, W. C., & Mayes, M. L. (2025), Unveiling the mechanism of o-fluorophenol ultrafast photodecay using on-the-fly nonadiabatic dynamics, Molecular Physics, doi: 10.1080/00268976.2025.2563030 

Bertsimas, Dimitris and Yubing Cui (2025), Adaptive Forests For Classification, arXiv: 2510.22991 [cs.LG] 

BICEP/Keck consortium (2025), BICEP/Keck XX: Component-separated maps of polarized CMB and thermal dust emission using Planck and BICEP/Keck Observations through the 2018 Observing Season, arXiv: 2509.21648 [astro-ph.CO] 

Bouabid, Shahine et al (2025), Score-based generative emulation of impact-relevant Earth system model outputs, arXiv: 2510.04358 [physics.ao-ph] 

Boyle, Peter et al (2025), Studying QED3 with radial quantization on the lattice – I. Free limit, arXiv: 2510.03085  

Cheng, Yu and Tianle Liu (2025), Generative AI for subgrid turbulence in large-eddy simulations, arXiv: 2510.00383 [physics.flu-dyn]  

Damashek, J. et al (2025), TIME: a metabolically-resolved reference database of nitrogen-fixing microbial genomes, Microbiol Resour Announc, doi: 10.1128/mra.00897-25 

Derkarabetian, Shahan et al (2025), Covering all bases: a universal Metazoan UCE probe set to democratize phylogenomics, Genome Biology and Evolution, doi: 10.1093/gbe/evaf193 

DePalma, David et al (2025), H I Properties of Field Galaxies at z ≈ 0.2–0.6: Insights into Declining Cosmic Star Formation, arXiv: 2510.03400 [astro-ph-GA] 

Faggioli, Guglielmo et al (2025), Characterizing the merger of equatorial-eccentric-geodesic plunges in rotating black holes, Phys. Rev. D, doi: 10.1103/xq3j-4jtx

Grigoropoulos, Costas et al (2025), Metamaterials from the Deep: Optimized Mechano-Fluidic Materials Inspired by Deep-Sea Sponges, via ResearchSquare, doi: 10.21203/rs.3.rs-7756357/v1

Guan, Lindsey and Amy E. Keating (2025), Training bias and sequence alignments shape protein–peptide docking by AlphaFold and related methods, Protein Science, doi: 10.1002/pro.70331 

Islam, Tousif, Gaurav Khanna, and Scott E. Field (2025), Consistency of spin effects between numerical relativity and perturbation theory for inspiraling comparable-mass black hole binaries, https://arxiv.org/abs/2510.00531 [qr-qc] 

Kumar, V., et al (2025), Scalable Bayesian Nonparametric Ensemble (BNE) for Spatio-temporal Air Pollution Predictions using High-Performance Computing, 2025 IEEE High Performance Extreme Computing Conference (HPEC), Wakefield, MA, USA, 2025, pp. 1-7, doi: 10.1109/HPEC67600.2025.11196402

Lasrado, Ninaad et al (2025), An intramuscular prime and mucosal boost vaccine regimen protects against lethal clade 2.3.4.4b H5N1 challenge in cynomolgus macaques, Science Translational Medicine, doi: 10.1126/scitranslmed.ady2282 

Luszczek, Piotr et al (2025), Performance and Numerical Aspects of Decompositional Factorizations with FP64 Floating-Point Emulation in INT8, arXiv: https://arxiv.org/pdf/2509.23565 [math.NA] 

Majumdar, Sauradeep et al (2025), The free energy landscape of Li- and Na-ion transport in nanoconfinement with machine learning interatomic potentials, via ChemrXiv, doi: 10.26434/chemrxiv-2025-rt6s2 

Martınez-Sanchez, Alvaro and Adrian Lozano-Duran (2025), Cause-and-effect approach to turbulence forecasting, arXiv: 2509.25065 [physics.flu-dyn]  

McDaniel, E.L. et al (2025), LLMs in Crisis Triage: Benchmarking Zero-Shot Classification of Social Media, 2025 IEEE High Performance Extreme Computing Conference (HPEC), Wakefield, MA, USA, 2025, pp. 1-10, doi: 10.1109/HPEC67600.2025.11196442 

Nam, Juno et al (2025), Flow matching for accelerated simulation of atomic transport in crystalline materials, Nature Machine Intelligence, doi: 10.1038/s42256-025-01125-4 

Narrett, Isaac et al (2025), Mercury Crustal Magnetization Indicates a Stronger Ancient Dynamo, arXiv: 2510.02003  

Narrett, Isaac et al (2025), Impact Plasma Amplification of the Ancient Mercury Magnetic Field, arXiv: 2510.01975 

Nicknish, P. A., Stone, K., Solomon, S., and Carn, S. A.(2025), Quantifying the decay timescale of volcanic sulfur dioxide in the stratosphere, Atmos. Chem. Phys., doi: 10.5194/acp-25-11535-2025 

Pilat, D.J. et al (2025), The gain-of-function TREM2-T96K mutation increases risk for Alzheimer’s disease by impairing microglial function, Neuron, doi: 10.1016/j.neuron.2025.09.032

Pashakhanloo, Farhad (2025), Contribution of task-irrelevant stimuli to drift of neural representations, arXiv: 2510.21588 [q-bio.NC] 

Puducheri, S., Zhou, O.T., Kapadia, K. et al (2025), Augmenting radiological assessment of imaging evident dementias with radiomic analysis, npj Dement., doi: 10.1038/s44400-025-00031-1 

Reuther, A. et al (2025), Lincoln AI Computing Survey (LAICS) and Trends, 2025 IEEE High Performance Extreme Computing Conference (HPEC), Wakefield, MA, USA, 2025, pp. 1-12, doi: 10.1109/HPEC67600.2025.11196427

Sivaloganathan, J et al (2025), The Impact of Foundation Models on the UN Sustainable Development Goals, 2025 IEEE International Conference on eScience (eScience), Chicago, IL, USA, 2025, pp. 375-376, doi: 10.1109/eScience65000.2025.00078

Tazin, A. and Kokar, M.M. (2025), UML Class Diagram Classification Using Category Theory, Journal of
Software Engineering and Applications, doi: 10.4236/jsea.2025.187014

Wycoff, Nathan (2025), On Thompson Sampling and Bilateral Uncertainty in Additive Bayesian Optimization, arXiv: https://arxiv.org/pdf/2510.11792 [stat.ML] 

Yao, X., S. Yang, M. Varia and M. Herbordt (2025), Accelerating Multi-Party Computation Using Heterogeneous Systems, 2025 IEEE High Performance Extreme Computing Conference (HPEC), Wakefield, MA, USA, 2025, pp. 1-10, doi: 10.1109/HPEC67600.2025.11196126

Do you have news about research using computing resources at the MGHPCC? If you have an interesting project that you want to tell people about or a paper you would like listed, contact 

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MGHPCC Publications

Research projects

A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
Towards a Whole Brain Cellular Atlas
Tornado Path Detection
The Kempner Institute - Unlocking Intelligence
The Institute for Experiential AI
Taming the Energy Appetite of AI Models
Surface Behavior
Studying Highly Efficient Biological Solar Energy Systems
Software for Unreliable Quantum Computers
Simulating Large Biomolecular Assemblies
SEQer - Sequence Evaluation in Realtime
Revolutionizing Materials Design with Computational Modeling
Remote Sensing of Earth Systems
Quantum Computing in Renewable Energy Development
Pulling Back the Quantum Curtain on ‘Weyl Fermions’
New Insights on Binary Black Holes
NeuraChip
Network Attached FPGAs in the OCT
Monte Carlo eXtreme (MCX) - a Physically-Accurate Photon Simulator
Modeling Hydrogels and Elastomers
Modeling Breast Cancer Spread
Impact of Marine Heatwaves on Coral Diversity
IceCube: Hunting Neutrinos
Genome Forecasting
Global Consequences of Warming-Induced Arctic River Changes
Exact Gravitational Lensing by Rotating Black Holes
Evolution of Viral Infectious Disease
Evaluating Health Benefits of Stricter US Air Quality Standards
Ephemeral Stream Water Contributions to US Drainage Networks
Energy Transport and Ultrafast Spectroscopy Lab
Electron Heating in Kinetic-Alfvén-Wave Turbulence
Discovering Evolution’s Master Switches
Dexterous Robotic Hands
Developing Advanced Materials for a Sustainable Energy Future
Detecting Protein Concentrations in Assays
Denser Environments Cultivate Larger Galaxies
Deciphering Alzheimer's Disease
Dancing Frog Genomes
Cyber-Physical Communication Network Security
Asteroid Data Mining
Analyzing the Gut Microbiome
Adaptive Deep Learning Systems Towards Edge Intelligence
Accelerating Rendering Power
ACAS X: A Family of Next-Generation Collision Avoidance Systems
Computation + Machine Intelligence | Wu Tsai Institute
Computational Modeling of Biological Systems
Computational Molecular Ecology
Social Capital and Economic Mobility
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