June Publications

July 6, 2022

Characterizing Simulated Traffic Management? Observability of Galaxy Merger Signatures? Humanitarian Assistance and Disaster Relief Modeling? This month's selection of publications featuring research using the MGHPCC.

Biswas, Niloy (2022), Contributions to Scalable Bayesian Computation,

Cone, Cooper E (2022), Evaluating Alternative Solutions for Aircraft Collision Avoidance, Tufts University Masters Thesis,

Aurelien Dersy et al (2022), Simplifying Polylogarithms with Machine Learning, arXiv: 2206.04115 [cs.LG] 

Sen Gao et al (2022), Catalyst-free synthesis of sub-5 nm silicon nanowire arrays with massive lattice contraction and wide bandgap, Nature Communications, doi: 10.1038/s41467-022-31174-x

James C. Jones, Zachary Ellenbogen and Yan Glina (2022), Characterizing Simulated Traffic Management Initiatives with Unsupervised Learning, AIAA AVIATION 2022 Forum June 27-July 1, 2022 Chicago, IL & Virtual, doi: 10.2514/6.2022-4025

Boris Kozinsky et al (2022), Uncertainty-aware molecular dynamics from Bayesian active learning: Phase Transformations and Thermal Transport in SiC, Research Square, doi: 10.21203/

Peggy Lai et al (2022), Metagenomic assessment of gut microbial communities and risk of severe COVID-19, Research Square, doi: 10.21203/

D, Kirk Lewis et al (2022), Electronic Structure of de Novo Peptide ACC-Hex from First Principles, J. Phys. Chem. B, doi: 10.1021/acs.jpcb.2c02346

Mazeau, Emily J. (2022), Ongoing Developments in Automatic Generation of Microkinetic Models for Heterogeneous Catalysis Using RMG, Doctoral Dissertation Northeastern University,

Rahul Mazumder et al (2022), Quant-BnB: A Scalable Branch-and-Bound Method for Optimal Decision Trees with Continuous Features, arXiv: 2206.11844 [cs.LG]

Rebecca McElroy et al (2022), The observability of galaxy merger signatures in nearby gas-rich spirals, arXiv:2206.07545 [astro-ph.GA] 

Schuldt, Dieter Wolfgang (2022), Application of Agent-Based Modeling to Problems in Humanitarian Assistance and Disaster Relief, Doctoral Dissertation Tufts University,

Daniel Schwalbe-Koda et al (2022), Repurposing Templates for Zeolite Synthesis from Simulations and Data Mining, Chem. Mater., doi: 10.1021/acs.chemmater.2c00064

Kevin A. Spiekermann, Lagnajit Pattanaik, and William H. Green (2022), Fast Predictions of Reaction Barrier Heights: Toward Coupled-Cluster Accuracy, J. Phys. Chem. A, doi: 10.1021/acs.jpca.2c02614

Mingyu Wan et al (2022), Deep Learning-Assisted Investigation of Electric Field–Dipole Effects on Catalytic Ammonia Synthesis, JACS Au, doi: jacsau.2c00003

Emily Williams and Adrian Lozano-Duran (2022), Information-Theoretic Approach for Subgrid-Scale Modeling for High-Speed Compressible Wall Turbulence, AIAA AVIATION 2022 Forum June 27-July 1, 2022 Chicago, IL & Virtual, doi: 10.2514/6.2022-3326

Yuchen Yuan, Jiahua Deng, and Qiang Cui (2022), Molecular Dynamics Simulations Establish the Molecular Basis for the Broad Allostery Hotspot Distributions in the Tetracycline Repressor, J. Am. Chem. Soc., doi: 10.1021/jacs.2c03275

Ali R. Zomorrodi et al (2022), Computational design and engineering of an Escherichia coli strain producing the nonstandard amino acid para-aminophenylalanine, iScience, doi: 10.1016/j.isci.2022.104562

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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