February 2023 Publications

March 6, 2023

Cooper pairings in superconducting Dirac semimetals? Photoswitchable ligands and photodruggable proteins? Starburst galaxy mergers? This month's selection of publications featuring research using the MGHPCC.

Auer, Benjamin et al (2023), Mesh modeling of system geometry and anatomy phantoms for realistic GATE simulations and their inclusion in SPECT reconstruction, IOPScience, Physics in Medicine and Biology, doi: 10.1088/1361-6560/acbde2

Axelrod, Simon et al (2023), Mapping the space of photoswitchable ligands and photodruggable proteins with computational modeling, arXiv: 2302.11490 [physics.chem-ph]

Bulekov, Alexander et al (2023), No Grammar, No Problem: Towards Fuzzing the Linux Kernel without System-Call Descriptions, Network and Distributed System Security (NDSS) Symposium 2023, doi: 10.14722/ndss.2023.24688

Card, Daren C. et al (2023), Genome Evolution and the Future of Phylogenomics of Non-Avian Reptiles, Animals, doi: 10.3390/ani13030471

Chaudhary, Gaurav et al (2023), Learning to write with the fluid rope trick, arXiv: 2302.05853 [physics.flu-dyn]

Chaves, Anderson S. et al (2023), Semiclassical Electron and Phonon Transport from First Principles: Application to Layered Thermoelectrics, arXiv: 302.00202 [ cond-mat.mtrl-sci]

He, Hao et al (2023), Molecular gas and star formation in nearby starburst galaxy mergers, arXiv: 2301.13250 [astro-ph.GA]

He, Qilin et al (2023), Grafting-To and From for Multiplexed Chemical-Warfare-Agent Responsive Polymer Brushes, Chem. Mater., doi: 10.1021/acs.chemmater.2c03405

Kadek, Marius et al (2023), Band structures and Z2 invariants of 2D transition metal dichalcogenide monolayers from fully-relativistic Dirac–Kohn–Sham theory using Gaussian-type orbitals, arXiv: 2302.00041 [cond-mat.strl-sci]

Mehta, R.S. et al (2023), Gut microbial metabolism of 5-ASA diminishes its clinical efficacy in inflammatory bowel disease, Nat. Med., doi: 10.1038/s41591-023-02217-7

Mohebujjaman, Muhammad et al (2023), Scalability analysis of direct and iterative solvers used to model charging of superconducting pancake solenoids, IOPScience, Engineering Research Express doi: 10.1088/2631-8695/acbd85

Nabizadeh, Mohammad et al (2023), Network physics of attractive colloidal gels: Resilience, Rigidity, and Phase Diagram, arXiv: 2301.13027 [cond-matt.soft]

Stuyver, Thijs and Connor Coley (2023), Machine Learning-Guided Computational Screening of New Candidate Reactions with High Bioorthogonal Click Potential, Chem. Eur. J., doi: 10.1002/chem.202300387

Tec, Mauricio et al (2023), Causal Shift-Response Functions with Neural Networks: The Health Benefits of Lowering Air Quality Standards in the US, arXiv: 2302.02560 [cs.LG]

Vuong, Van-Quan and Qiang Cui (2023), Reparameterization of the Chemical-Potential Equalization Model with DFTB3: A Practical Balance Between Accuracy and Transferability, The Journal of Chemical Physics, doi: 10.1063/5.0132903

Wolf, Lawrence and Walter Thiel (2022), Computational Investigations into the Mechanisms of Trans-Selective Hydrogenation and Hydrometalation of Alkynes, Organometallics, doi: 10.1021/bk-2019-1317.ch003

Xu, Haowei et al (2023), Two-Photon Interface of Nuclear Spins Based on the Optonuclear Quadrupolar Effect, Physical Review X, doi: 10.1103/PhysRevX.13.011017

Yahyavi, Mohammad et al (2023), Transverse circular photogalvanic effect associated with Lorentz-violating Weyl fermions, arXiv: 2301.00958

Yang, Xian P. et al (2023), Coexistence of bulk-nodal and surface-nodeless Cooper pairings in a superconducting Dirac semimetal, arXiv: 2301.01402

Yu, Houlin et al (2023), Conservation and Expansion of Transcriptional Factor Repertoire in the Fusarium oxysporum Species Complex, biorXiv, doi: 10.1101/2023.02.09.527873

Zavatone-Veth, Jacob A. et al (2023), Neural networks learn to magnify areas near decision boundaries, arXiv: 2301.11375 [cs.LG]

Zhu, Yanglin et al (2023), Surprisingly large anomalous Hall effect and giant negative magnetoresistance in half topological semimetals, arXiv: 2301.01704

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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