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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

Links

MGHPCC Publications

Research projects

A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
The Rhode Island Coastal Hazards Analysis, Modeling, and Prediction System
Towards a Whole Brain Cellular Atlas
Tornado Path Detection
The Kempner Institute - Unlocking Intelligence
The Institute for Experiential AI
Taming the Energy Appetite of AI Models
Surface Behavior
Studying Highly Efficient Biological Solar Energy Systems
Software for Unreliable Quantum Computers
Simulating Large Biomolecular Assemblies
SEQer - Sequence Evaluation in Realtime
Revolutionizing Materials Design with Computational Modeling
Remote Sensing of Earth Systems
QuEra at the MGHPCC
Quantum Computing in Renewable Energy Development
Pulling Back the Quantum Curtain on ‘Weyl Fermions’
New Insights on Binary Black Holes
NeuraChip
Network Attached FPGAs in the OCT
Monte Carlo eXtreme (MCX) - a Physically-Accurate Photon Simulator
Modeling Hydrogels and Elastomers
Modeling Breast Cancer Spread
Measuring Neutrino Mass
Investigating Mantle Flow Through Analyses of Earthquake Wave Propagation
Impact of Marine Heatwaves on Coral Diversity
IceCube: Hunting Neutrinos
Genome Forecasting
Global Consequences of Warming-Induced Arctic River Changes
Fuzzing the Linux Kernel
Exact Gravitational Lensing by Rotating Black Holes
Evolution of Viral Infectious Disease
Evaluating Health Benefits of Stricter US Air Quality Standards
Ephemeral Stream Water Contributions to US Drainage Networks
Energy Transport and Ultrafast Spectroscopy Lab
Electron Heating in Kinetic-Alfvén-Wave Turbulence
Discovering Evolution’s Master Switches
Dexterous Robotic Hands
Developing Advanced Materials for a Sustainable Energy Future
Detecting Protein Concentrations in Assays
Denser Environments Cultivate Larger Galaxies
Deciphering Alzheimer's Disease
Dancing Frog Genomes
Cyber-Physical Communication Network Security
Avoiding Smash Hits
Analyzing the Gut Microbiome
Adaptive Deep Learning Systems Towards Edge Intelligence
Accelerating Rendering Power
ACAS X: A Family of Next-Generation Collision Avoidance Systems
Neurocognition at the Wu Tsai Institute, Yale
Computational Modeling of Biological Systems
Computational Molecular Ecology
Social Capital and Economic Mobility
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Outreach & Education Projects

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