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May Publications

June 1, 2022

Cosmological informed neural networks to solve the background dynamics of the Universe?  Neural Scaling of Deep Chemical Models? This month's selection of publications featuring research using the MGHPCC.

Estefanía Bello-Jurado et al (2022), Tunable CHA/AEI Zeolite Intergrowths with A Priori Biselective Organic Structure-Directing Agents: Controlling Enrichment and Implications for Selective Catalytic Reduction of NOx, Angew. Chem. Int., doi: 10.1002/anie.202201837

Josh Borrow et al (2022), There and back again: understanding the critical properties of backsplash galaxies, arXiv: 2205.10376 [astro-ph.GA]

Augusto T. Cantada et al (2022), Cosmological informed neural networks to solve the background dynamics of the Universe, arXiv: 2205.02945 [astro-ph.CO]

Comellas E, et al (2022), Local mechanical stimuli correlate with tissue growth in axolotl salamander joint morphogenesis, Proc. R. Soc. B , doi: 10.1098/rspb.2022.0621

R. Datta et al (2022), Time-resolved velocity and ion sound speed measurements from simultaneous bow shock imaging and inductive probe measurements, arXiv: 2205.06082 [physics.plasm-ph]

Hejazi, Davoud (2022), Dispersion-Free Accurate Color Estimation Using Layered Excitonic 2D Materials and Machine Learning, Doctoral Dissertation Northeastern University, ProQuest Dissertations Publishing, 29165805.

Nathan C. Frey et al (2022), Neural Scaling of Deep Chemical Models, chemrXiv

Sheila M. Gaynor et al (2022), Connectivity in eQTL networks dictates reproducibility and genomic properties, Cell Reports Methods, doi: 10.1016/j.crmeth.2022.100218

Ayan Majumder, Seulki Kwon, and John E. Straub (2022), On Computing Equilibrium Binding Constants for Protein–Protein Association in Membranes, J. Chem. Theory Comput, doi: 10.1021/acs.jctc.2c00106

T. Patel, D. Silver and D. Tiwari (2022), OPTIC: A Practical Quantum Binary Classifier for Near-Term Quantum Computers, 2022 Design, Automation & Test in Europe Conference & Exhibition, doi: 10.23919/DATE54114.2022.9774707

Elumalai Pavadai et al (2022), Modulation of cardiac thin filament structure by phosphorylated troponin-I analyzed by protein-protein docking and molecular dynamics simulation, Archives of Biochemistry and Biophysics, doi: 10.1016/j.abb.2022.109282

Ana-Roxana Pop et al (2022), Sunyaev-Zel’dovich effect and X-ray scaling relations of galaxies, groups and clusters in the IllustrisTNG simulations, arXiv: 2205.11528 [astro-ph.GA]

Haoyuan Sun et al (2022), Mirror Descent Maximizes Generalized Margin and Can Be Implemented Efficiently, arXiv: 2205.12808 [cs.LG] 

Sebastian Swanson et al (2022), Tertiary motifs as building blocks for the design of protein-binding peptides, The Protein Society, doi: 10.1002/pro.4322

Hao Tang et al (2022), First-principles Calculation of the Temperature-dependent Transition Energies in Spin Defects, arXiv: 2205.02791 [quant-ph]

Brandon Wilfong et al (2022), Helical spin ordering in room-temperature metallic antiferromagnet Fe3Ga4, Journal of Alloys and Compounds, doi: 10.1016/j.jallcom.2022.165532

Xu, Q., Ahmadi, E., Amini, A. et al. (2022), Identifying and Mitigating Potential Biases in Predicting Drug Approvals, Drug Safety, doi: 10.1007/s40264-022-01160-9

Yujia Xue et al (2022), Deep learning-augmented Computational Miniature Mesoscope, arXiv: 2205.00123

Jiarui Yang et al (2022), Volumetric characterization of microvasculature in ex vivo human brain samples by serial sectioning optical coherence tomography, IEEE Transactions on Biomedical Engineering, doi: 10.1109/TBME.2022.3175072

Jessica Y.-C. Yeh et al (2022), The THESAN project: ionizing escape fractions of reionization-era galaxies, arXiv: 2205.02238 [aster-ph.GA]

Qi Zhang et al (2022), Understanding human-environment interrelationships under constrained land-use decisions with a spatially explicit agent-based model, Anthropocene, doi: 10.1016/j.ancene.2022.100337

Zhang, Y., Bhosle, A., Bae, S. et al. (2022), Discovery of bioactive microbial gene products in inflammatory bowel disease, Nature, doi: 10.1038/s41586-022-04648-7

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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
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Outreach & Education Projects

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