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


MGHPCC Publications

Research projects

Dusty With a Chance of Star Formation
Checking the Medicine Cabinet to Interrupt COVID-19 at the Molecular Level
Not Too Hot, Not Too Cold But Still, Is It Just Right?​
Smashing Discoveries​
Microbiome Pattern Hunting
Modeling the Air we Breathe
Exploring Phytoplankton Diversity
The Computer Will See You Now
Computing the Toll of Trapped Diamondback Terrapins
Edging Towards a Greener Future
Physics-driven Drug Discovery
Modeling Plasma-Surface Interactions
Sensing Subduction Zones
Neural Networks & Earthquakes
Small Stars, Smaller Planets, Big Computing
Data Visualization using Climate Reanalyzer
Getting to Grips with Glassy Materials
Modeling Molecular Engines
Forest Mapping: When the Budworms come to Dinner
Exploring Thermoelectric Behavior at the Nanoscale
The Trickiness of Talking to Computers
A Genomic Take on Geobiology
From Grass to Gas
Teaching Computers to Identify Odors
From Games to Brains
The Trouble with Turbulence
A New Twist
A Little Bit of This… A Little Bit of That..
Looking Like an Alien!
Locking Up Computing
Modeling Supernovae
Sound Solution
Lessons in a Virtual Test Tube​
Crack Computing
Automated Real-time Medical Imaging Analysis
Towards a Smarter Greener Grid
Heading Off Head Blight
Organic Light-Harvesting Antennae
Art and AI
Excited by Photons
Tapping into an Ocean of Data
Computing Global Change
Star Power
Engineering the Human Microbiome
Computing Social Capital
Computers Diagnosing Disease
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Collaborative projects

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Outreach & Education Projects

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