April Publications

May 3, 2021

Equivariant wavelets? Exciton-phonon interactions? Finite quantum baths?  Evolution of the codling moth pheromone? This month’s selection of publications featuring research using the MGHPCC.

Hongbo Chen et al (2021), Mapping temperature-dependent conformational change in the voltage-sensing domain of an engineered heat-activated K+ channel, PNAS, doi: 10.1073/pnas.2017280118
P.J.D. Crowley and A. Chandran (2021), Partial thermalisation of a two-state system coupled to a finite quantum bath, arXiv: 2104.03312 [quant-ph]
Anthony Y. Cui and Qiang Cui (2021), Modulation of Nanoparticle Diffusion by Surface Ligand Length and Charge: Analysis with Molecular Dynamics Simulations, J. Phys. Chem. B, doi: 10.1021/acs.jpcb.1c01189
B. Donmez and A. Abur (2021), State Estimation without Topology Processor, IEEE Transactions on Power Systems, doi: 10.1109/TPWRS.2021.3064975
T.A. Huang et al (2021), Exciton–Phonon Interactions in Monolayer Germanium Selenide from First Principles, J. Phys. Chem. Lett., doi: 10.1021/acs.jpclett.1c00264
Jean-Marc Lassance, Bao-Jian Ding & Christer Löfstedt (2021), Evolution of the codling moth pheromone via an ancient gene duplication, BMC Biology, doi: 10.1186/s12915-021-01001-8
Achilleas Pipertzis, George Papamokos, Oskar Sachnik, Sybille Allard, Ullrich Scherf, and George Floudas (2021), Ionic Conductivity in Polyfluorene-Based Diblock Copolymers Comprising Nanodomains of a Polymerized Ionic Liquid and a Solid Polymer Electrolyte Doped with LiTFSI, Macromolecules, doi: 10.1021/acs.macromol.1c00436
J.W. Rocks and P. Mehta (2021), The Geometry of Over-parameterized Regression and Adversarial Perturbations, arXiv: 2103.14108 [stat.ML]
Andrew K. Saydjari and Douglas P. Finkbeiner (2021), Equivariant Wavelets: Fast Rotation and Translation Invariant Wavelet Scattering Transforms, arXiv: 2104.11244 [cs.CV]
A. Theodoridis et al (2021), Polarity Matters: Dielectric Relaxation in All-cis-Multifluorinated Cycloalkanes, J. Phys. Chem. B., doi: 10.1021/acs.jpcb.1c00100
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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