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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

Foldit
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
A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Wearable Health Technology
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
The Forensic Video Exploitation and Analysis (FOVEA) Tool Suite
The Center for Scientific Computing and Data Science Research (CSCDR)
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
Sensorimotor Technology Realization in Immersive Virtual Environments (STRIVE)
Revolutionizing Materials Design with Computational Modeling
Remote Sensing of Earth Systems
Refugee Migration and Return on Social Media
QuEra at the MGHPCC
Predicting Reaction Barrier Heights
Quantum Computing in Renewable Energy Development
Quantifying Risk, Resilience, and Uncertainty with Machine Learning and HPC
Pulling Back the Quantum Curtain on ‘Weyl Fermions’
Predicting Kinetic Solvent Effects
OpenCilk
Offshore Precipitation Capability (OPC) System
New Insights on Binary Black Holes
NeuraChip
Network Attached FPGAs in the OCT
NASA Arctic-Boreal Vulnerability Experiment (ABoVE)
Monte Carlo eXtreme (MCX) – a Physically-Accurate Photon Simulator
Modeling Molecular Dynamics for Drug Delivery
Modeling Hydrogels and Elastomers
Modeling Breast Cancer Spread
Machine Learning and Wastewater
Lichtman Lab – Center for Brain Science
Measuring Neutrino Mass
Learning-Task Informed Abstractions
Large-Scale Brain Mapping
Invisible Tags
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
FlyNet
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
ElectroVoxels: Modular Self-reconfigurable Robots
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