March Publications

April 4, 2022

What's new from BICEP/Keck? Staphylococcal Nuclease Mutants? Fermi arcs and Weyl nodes? This month's selection of publications featuring research using the MGHPCC.

BICEP/ Keck Collaboration (2022), BICEP/Keck XV: The BICEP3 Cosmic Microwave Background Polarimeter and the First Three-year Data Set, The Astrophysical Journal, doi: 10.3847/1538-4357/ac4886

Darren Demapan, Jörg Kussmann, Christian Ochsenfeld, and Qiang Cui (2022), Factors That Determine the Variation of Equilibrium and Kinetic Properties of QM/MM Enzyme Simulations: QM Region, Conformation, and Boundary Condition, J. Chem. Theory Comput., doi: 10.1021/acs.jctc.1c00714

Jiahua Deng and Qiang Cui (2022), Electronic Polarization Is Essential for the Stabilization and Dynamics of Buried Ion Pairs in Staphylococcal Nuclease Mutants, J. Am. Chem. Soc., doi: 10.1021/jacs.2c00312

Marc Healy, John Rogan, Lara A. Roman, Sabine Nix, Deborah G. Martin & Nicholas Geron (2022), Historical Urban Tree Canopy Cover Change in Two Post-Industrial Cities, Environmental Management, doi: 10.1007/s00267-022-01614-x

Yinqiu Ji et al (2022), Measuring protected-area effectiveness using vertebrate distributions from leech iDNA, Nature Communications, doi: 10.1038/s41467-022-28778-8

Connor Johnson et al (2022), Highly unstable heterogeneous representations in VIP interneurons of the anterior cingulate cortex, Nature Psychiatry, doi: s41380-022-01485-y

Aobo Li et al (2022), KamNet: An Integrated Spatiotemporal Deep Neural Network for Rare Event Search
in KamLAND–Zen, arXiv: 2203.10870 [physics.ins-det]

Smarak Maity et al (2022), Mechanical Control of a Single Nuclear Spin, Physics Review X, doi: 10.1103/PhysRevX.12.011056

Donggi Paik et al (2022), Human gut bacteria produce ΤΗ17-modulating bile acid metabolites, Nature, doi: 10.1038/s41586-022-04480-z

Junwoo Park et al (2022), Controlled Hysteresis of Conductance in Molecular Tunneling Junctions, ACS Nano, doi: 10.1021/acsnano.1c10155

Jason W. Rocks and Pankaj Mehta (2022), Bias-variance decomposition of overparameterized regression with random linear features, arXiv: 2203.05443 [stat.ML]

Anup Pradhan Sakhya et al (2022), Observation of Fermi arcs and Weyl nodes in a non-centrosymmetric magnetic Weyl semimetal, arXiv: 2203.05440 [cond-mat.mes-hall]

Y. Wu, T. Wu, and S.-T. Yau (2022), Surface Eigenvalues with Lattice-Based Approximation, arXiv: 2203.03603 [math.NA]

Yu Xie et al (2022), Uncertainty-aware molecular dynamics from Bayesian active learning: Phase Transformations and Thermal Transport in SiC, arXiv: 2203.03824 [physics.comp-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


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​
Higgs Boson Spotted in Holyoke?
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
All Research Projects

Collaborative projects

ALL Collaborative PROJECTS

Outreach & Education Projects

See ALL Scholarships
100 Bigelow Street, Holyoke, MA 01040