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February Publications

March 1, 2022

Rydberg atom arrays? Vibrionic photoexcitation? CMOS compatible sputtering techniques? This month's selection of publications featuring research using the MGHPCC.

Simon Axelrod et al (2022), Learning Matter: Materials Design with Machine Learning and Atomistic Simulations, Accounts of Materials Research, doi: 10.1021/accountsmr.1c00238

Nirjhar Bhattacharjee et al (2022), Topological Antiferromagnetic van der Waals Phase in Topological Insulator/Ferromagnet Heterostructures Synthesized by CMOS-Compatible Sputtering Technique, Advanced Materials, doi: 10.1002/adma.202108790

Kevin C. Courtney et al (2022), The complexin C-terminal amphipathic helix stabilizes the fusion pore open state by sculpting membranes, Nature Structural and Molecular Biology, doi: 10.1038/s41594-021-00716-0

Sarah Dunton et al (2022), Determining metrics for broadening participation in computing: Connecting data to multi-state computer science education policy efforts, Policy Futures in Education, doi: 10.1177/14782103211064443

​S. Ebadi et al (2022), Quantum Optimization of Maximum Independent Set using Rydberg Atom Arrays, arXiv: 2202.09372 [quant-ph]

Victoria O.Fasiku​ et al (2022), A hyaluronic acid-based nanogel for the co-delivery of nitric oxide (NO) and a novel antimicrobial peptide (AMP) against bacterial biofilms​, International Journal of Biological Macromolecules, doi: 10.1016/j.ijbiomac.2022.02.099​

​Steven Finch (2022), Second Best, Third Worst, Fourth in Line, arXiv: 2202.07621 [math.CO]

Benjamin E. Grossman-Ponemon, Ataollah Mesgarnejad, Alain Karma (2022), Phase-field modeling of continuous fatigue via toughness degradation, Engineering Fracture Mechanics, doi: 10.1016/j.engfracmech.2022.108255

Song Luo et al (2022), Titrating Controlled Defects into Si-LTA Zeolite Crystals Using Multiple Organic Structure-Directing Agents, Chemical Materials, doi: 10.1021/acs.chemmater.1c04036

Nicholas Marcella et al (2022), Decoding reactive structures in dilute alloy catalysts, Nature Communications, doi: 10.1038/s41467-022-28366-w

A. Levi and D. Sasselov​ (2022), Partitioning of Atmospheric O2 into High-pressure Ice in Ocean Worlds​, The Astrophysical Journal, doi: 10.3847/1538-4357/ac4500​

Hassiel Negrin-Yuvero et al (2022), Vibronic Photoexcitation Dynamics of Perylene Diimide: Computational Insights, J. Phys. Chem. A, doi: 10.1021/acs.jpca.1c09484

Stephanie O’Neil, Josh Borrow, Mark Vogelsberger and Benedikt Diemer​ (2022), The impact of galaxy selection on the splashback boundaries of​ ​galaxy clusters​​, arXiv: 2202.05277 [astro-ph.GA]

Nashwan Sabti, Julian B. Muñoz, and Diego Blas (2022), Galaxy luminosity function pipeline for cosmology and astrophysics, Phys. Rev. D, doi: 10.1103/PhysRevD.105.043518

Xuejian Shen, et al (2022), X-ray morphology of cluster-mass haloes in self-interacting dark matter, arXiv 2201.00038 [astro-ph.CO]

Mohammadrasoul Taghavi​ et al (2022), Multifunctional metasails for self-stabilized beam-riding and optical communication​, Nanoscale Advances, doi: 10.1039/D1NA00747E​​

Methodios Ximerakis et al (2022), Heterochronic parabiosis reprograms the mouse brain transcriptome by shifting aging signatures in multiple cell types, bioRXiv, doi: 10.1101/2022.01.27.477911

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
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
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
Bone Ratios and Big Data
Supercomputers Reveal Ancient Atmospheric Battle
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