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
All Research Projects

Collaborative projects

ALL Collaborative PROJECTS

Outreach & Education Projects

See ALL Scholarships
100 Bigelow Street, Holyoke, MA 01040