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December 2023 Publications

December 4, 2023

Galaxy morphology? Clustering neural quantum states via diffusion maps? Decarbonization of high-performance computing centers? A selection of recent publications featuring research using the MGHPCC.

Airas, Justin et al (2023), Transferable Implicit Solvation via Contrastive Learning of Graph Neural Networks, ACS Cent. Sci., doi: 10.1021/acscentsci.3c01160

Ayyer, V. et al (2023), The Operator Product Expansion for Radial Lattice Quantization of 3D ϕ4 Theory, arXiv: 2311.01100 [hep-lat]  

Balsells, Max et al (2023), Autonomous Robotic Reinforcement Learning with Asynchronous Human Feedback, arXiv: 2310.20608 [cs.LG]

Chantada, Augusto T. et al (2023), NN bundle method applied to cosmology: an improvement in computational times, arXiv: 2311.15955 [astro-ph.CO] 

Chen, Tao et al (2023), Visual dexterity: In-hand reorientation of novel and complex object shapes, Science Robotics, doi: 10.1126/scirobotics.adc9244 

Courtney, K.C.cet al. (2023), Synaptotagmin-7 outperforms synaptotagmin-1 to promote the formation of large, stable fusion pores via robust membrane penetration, Nat. Commun., doi: 10.1038/s41467-023-42497-8 

Franco, G. et al (2023), Evaluating LLP Methods: Challenges and Approaches, arXiv: 2310.19065 [cs.LG] 

Gerke, Carter S. et al (2023), Electrochemical C–N Bond Formation within Boron Imidazolate Cages Featuring Single Copper Sites, Journal of the American Chemical Society, doi: 10.1021/jacs.3c08359 

Lozano-Dur ´ an, Adrain et al (2023), Information-theoretic causality and applications to turbulence: energy cascade and inner/outer layer interactions, arXiv: 2310.20544 [physics.flu-dyn] 

Mondal, Mazharul Islam et al (2023), Observation of multiple van Hove singularities and correlated electronic states in a new topological ferromagnetic kagome metal NdTi3Bi4, arXiv: 2311.11488 [cond-mat.mtrl-sci] 

Pandya, S. (2023), E(2) Equivariant Neural Networks for Robust Galaxy Morphology Classification, arXiv: 2311.01500 [astro-ph.GA]  

Park, Jung Yeon et al (2023), Modeling Dynamics over Meshes with Gauge Equivariant Nonlinear Message Passing, arXiv: 2310.19589 [cs.LG] 

Reuther, A. et al (2023), Lincoln AI Computing Survey (LAICS) Update, arXiv: 2310.09145 [cs.AI] 

Rezaei SE, and Schindler P. (2023), Revealing Large Room-Temperature Nernst Coefficients in 2D Materials by First-Principles Modeling, ChemRxiv, doi: 10.26434/chemrxiv-2023-7p14b 

Ricke, D.O. et al (2023), Omics Analysis and Quality Control Pipelines in a High-Performance Computing Environment, OMICS: A Journal of Integrative Biology, doi: 10.1089/omi.2023.0078 

Silva, C.A. et al (2023), A review on the decarbonization of high-performance computing centers, Renewable and Sustainable Energy Reviews, doi: 10.1016/j.rser.2023.114019

Tang, Rui Jie et al (2023), Time Reversal Differentiation of FDTD for Photonic Inverse Design, ACS Photonics, doi: 10.1021/acsphotonics.3c00694

Teng, Yanting et al (2023), Clustering neural quantum states via diffusion maps, Physical Review B, doi: 10.1103/PhysRevB.108.20515

Wakefield, J.P. et al (2023), Three-dimensional flat bands in pyrochlore metal CaNi2, Nature, doi: 10.1038/s41586-023-06640-1 

Wan, Mingyu et al (2023), Enhanced CO2 Reactive Capture and Conversion Using Aminothiolate Ligand–Metal Interface, J. Am. Chem. Soc., doi: 10.1021/jacs.3c06888 

Zhang, R. et al (2023), Exposing nontrivial flat bands and superconducting pairing in infinite-layer nickelates, arXiv: 2311.03302 [[cond-mat.supr-con] 

Zheng, Jonathan W. and William H. Green (2023), Experimental Compilation and Computation of Hydration Free Energies for Ionic Solutes, The Journal of Physical Chemistry A, doi: 10.1021/acs.jpca.3c05514 

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
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
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
Neurocognition at the Wu Tsai Institute, Yale
Computational Modeling of Biological Systems
Computational Molecular Ecology
Social Capital and Economic Mobility
Building for Floods
Better Pathogen Targeting
Tracking Environmental Health Risks
AI for Cancer Diagnosis
Microplastic-Free by Design
Supporting Data-intensive Social Science
Sailing the Symbiosis Seascape
Wrangle Range Modeling
Shining a Light on Dark Matter
Grid Responsive Data Centers
Multifunctional 3D-Printed Materials
AI Pareidolia
Computing Hidden Health Threats from Heat
Staving off the Banana Apocalypse
CRISPR Mice, Smarter Science
Naval and Ocean Renewable Energy Hydrodynamics
AI That Speaks Human About Health
A Safer Way to See Inside Cells
How Monkeys - and Machines - See in 3D
FlowER: AI for Predicting Chemical Reactions
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