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January 2025 Publications

February 4, 2025

Reentry Communications Blackout Alleviation? Thermal and dimensional stability of photocatalytic material? Conservation Status of Costa-Rican Jaguars? A selection of recent publications featuring research using the MGHPCC.

Aichelman, Hannah E. et al (2025), Cryptic coral diversity is associated with symbioses,
physiology, and response to thermal challenge, Science Advances, doi: 10.1126/sciadv.adr5237

Austin, Samuel P. et al (2025), Verification and Validation of a Scalable HDG Code for Modeling Gas Discharges, AIAA 2025-2490, Session: Computational Methods for Plasmas and Lasers, doi: 10.2514/6.2025-2490

J. Bradshaw et al (2025), Challenging reaction prediction models to generalize to novel chemistry, arXiv: 2501.06669 [cs.LG] 

Cabral, Myrella et al (2025), Fluid-Structure Interaction Analysis of a Compliant CFCF Panel at Mach 5.85, AIAA 2025-1013 Session: Fluid Structure Interaction and Small UAV Aeroelastic Problems AIAA 2025-1013, doi: 10.2514/6.2025-1013

Chang, Arnold (2024), The Future Is Now: AI-Enabled Preclinical fMRI Analysis, Northeastern University ProQuest Dissertations & Theses,  2024, 31768148

Cheng, Yingjie et al (2025), Unveiling the Dark Side of Ultraviolet/Optical Bright Galaxies: Optically Thick Dust Absorption, The Astrophysical Journal, doi: 10.3847/1538-4357/ad9909 

Emperauger, Gabriel et al (2025), Tomonaga-Luttinger Liquid Behavior in a Rydberg-encoded Spin Chain, arXiv: 2501.08179 [quant-ph] 

Fittolani, Giulio et al (2025), Automated Flow Synthesis of Artificial Heme Enzymes for Enantiodivergent Biocatalysis, Journal of the American Chemical Society, doi: 10.1021/jacs.4c13832 

Gomes, L. et al (2025), Comprehensive Study on Solvent Dynamics in Gel Polymer Electrolytes for Lithium-Sulfur Battery, via ChemRxiv, doi: 10.26434/chemrxiv-2025-1szzf 

Grosso, Gaia et al (2025), Robust resonant anomaly detection with NPLM, arXiv: 2501.01778 [hep-ex] 

Guida, D.P. et al (2025), On the Source of Conductivity in Alkaline Zn Anodes: Zn Percolation and ZnO Bridging, Journal of the Electrochemical Society, doi: 10.1149/1945-7111/adacc4 

Hsu, T.Y. et al (2025), Profiling lateral gene transfer events in the human microbiome using WAAFLE, Nat Microbiol, doi: 10.1038/s41564-024-01881-w 

Huhn, A. et al (2025), The molecular reach of antibodies crucially underpins their viral neutralisation capacity, Nat Commun, doi: 10.1038/s41467-024-54916-5

Khan, O et al (2025), E-FTMap: A Protein Structure Based Pharmacophore Identification Server for Guiding Fragment Expansion, Journal of Molecular Biology, doi: 10.1016/j.jmb.2025.168956 

Ling, Yuenong and Adrian Lozano-Duran (2025), Numerically Consistent Data-Driven Subgrid-Scale Model Through Enforcement of Exact Mean Flow Statistics, AIAA 2025-1280
Session: Turbulence, Turbulence Modeling, Uncertainty Quantification and V&V, doi: 10.2514/6.2025-1280

Lüer, Léon et al (2025), Numerical Investigation of SF6 Injection Into Supersonic Reacting Flow for Reentry Communications Blackout Alleviation, AIAA 2025-0554 Session: Hypersonic Missions and Vehicles, doi: 10.2514/6.2025-0554

Mukherjee, Abhishek (2025), Thermal and dimensional stability of photocatalytic material ZnPS3 under extreme environmental conditions3, arXiv: 2501.14252 [cond-mat.mtrl-sci]  

Norman, O. G. et al (2025), Exploring the processes controlling secondary inorganic aerosol: evaluating the global GEOS-Chem simulation using a suite of aircraft campaigns, Atmos. Chem. Phys., doi: 10.5194/acp-25-771-2025 

Nugent, C. R., Nicole J. Tan and James M. Bauer (2025), FindPOTATOs: Minor Planet Observation Linking Software, Planet. Sci. J., doi: 10.3847/PSJ/ad94eb 

Olson, Erik R. et al (2025), Conservation crisis? Status of jaguars Panthera onca in Corcovado National Park, Costa Rica, Oryx, doi: 10.1017/S0030605324001170 

Pantelopulos, George A. et al (2025), Exploring the kinetics and mechanism of phase separation in ternary lipid mixtures containing APP C99 using atomistic vs coarse-grained MD simulations, via bioRxiv, doi: 10.1101.2024.12.31.630974 

Pandya, Sneh et al (2025), SIDDA: SInkhorn Dynamic Domain Adaptation for Image Classification with Equivariant Neural Networks, arXiv: 2501.14048 [cs.LG]  

Paolella, Matthew E. et al (2025), Quantifying the ability of the CF2H group as a hydrogen bond donor, Beilstein Journal of Organic Chemistry, doi: 10.3762/bjoc.21.11 

Petrov, Artem et al (2025), Symmetric Diblock Copolymers Form Versatile and Switchable Ultrasmall Nanoparticles, ACS Nano, doi: 10.1021/acsnano.4c14236 

Piskulich, Z.A. and Q. Cui (2025), Hydrogen bonding blues: Vibrational spectroscopy of the TIP3P water model featured, The Journal of Chemical Physics, doi: 10.1063/5.0243509

Prusty, Sangram et al (2025), Comparative analysis of Im7 dynamics with polarizable and non-polarizable CHARMM family of force fields, ChemRxiv, doi: 10.26434/chemrxiv-2025-c4515 

Reinhardt, Clorice R. et al (2025), No Bridge between Us: EXAFS and Computations Confirm Two Distant Iron Ions Comprise the Active Site of Alkane Monooxygenase (AlkB), Journal of the American Chemical Society, doi: 10.1021/jacs.4c12633 

Richards, Khyle C. (2025), A Small-Molecule Inhibitor of Gut Bacterial Urease Protects the Host from Liver Injury, ACS Chemical Biology, doi: 10.1021/acschembio.3c00556 

Allan Shtofenmakher and Hamsa Balakrishnan (2025), Vehicle Routing Problem Formulation for Efficient Tracking of Objects in Low Earth Orbit, AIAA 2025-0533 Session: Spacecraft and Launch Guidance, Navigation, and Control III, doi: 10.2514/6.2025-0533

Snider, Samuel B et al (2025), Developing an EEG-based model to predict awakening after cardiac arrest using partial processing with the BIS Engine, Anesthesiology, doi: 10.1097/ALN.0000000000005369

Song, Qiyu and Zhiming Kuang (2025), Physically Interpretable Emulation of a Moist
Convecting Atmosphere with a Recurrent Neural Network, arXiv: 2501.08513 [physics.ao-ph] 

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

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Research projects

A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
The Rhode Island Coastal Hazards Analysis, Modeling, and Prediction System
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
QuEra at the MGHPCC
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
Measuring Neutrino Mass
Investigating Mantle Flow Through Analyses of Earthquake Wave Propagation
Impact of Marine Heatwaves on Coral Diversity
IceCube: Hunting Neutrinos
Genome Forecasting
Global Consequences of Warming-Induced Arctic River Changes
Fuzzing the Linux Kernel
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
Avoiding Smash Hits
Analyzing the Gut Microbiome
Adaptive Deep Learning Systems Towards Edge Intelligence
Accelerating Rendering Power
ACAS X: A Family of Next-Generation Collision Avoidance Systems
Neurocognition at the Wu Tsai Institute, Yale
Computational Modeling of Biological Systems
Computational Molecular Ecology
Social Capital and Economic Mobility
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