Menu

August Publications

September 3, 2019

Below is a selection of papers that appeared in August 2019 reporting the results of research using the Massachusetts Green High Performance Computing Center (MGHPCC), or acknowledging the use of Harvard’s Odyssey Cluster, Northeastern’s Discovery Cluster, the Boston University Shared Computing Cluster and MIT's Engaging Cluster all of which are housed at the MGHPCC.
Ronen Bar-Ziv, Priyadarshi Ranjan, Anna Lavie, Akash Jain, Somenath Garai, Avraham Bar Hen, Ronit Popovitz-Biro, Reshef Tenne, Raul Arenal, Ashwin Ramasubramaniam, Luc Lajaunie, Maya Bar-Sadan (2019), Au-MoS2 Hybrids as Hydrogen Evolution Electrocatalysts, ACS Appl. Energy Mater, doi: 10.1021/acsaem.9b01147
Sarah C. Conner, Sara Lodi, Kathryn L. Lunetta, Juan P. Casas, Steven A. Lubitz, Patrick T. Ellinor, Christopher D. Anderson, Qiuxi Huang, Justin Coleman, Wendy B. White, Emelia J. Benjamin, and Ludovic Trinquart (2019), Refining the Association Between Body Mass Index and Atrial Fibrillation: G‐Formula and Restricted Mean Survival Times, Journal of the American Heart Association, doi: 10.1161/JAHA.119.013011
Shiang Fang, Stephen Carr, Ziyan Zhu, Daniel Massatt, Efthimios Kaxiras (2019), Angle-Dependent Ab initio Low-Energy Hamiltonians for a Relaxed Twisted Bilayer
Graphene Heterostructure, arXiv: 1908.00058 [cond-mat.mes-hall]
Brandt A. L. Gaches. Stellar S. R. Offner, and Thomas G. Bisbas (2019), The Astrochemical Impact of Cosmic Rays in Protoclusters II: CI-to-H2 and CO-to-H2 Conversion Factors, arXiv:1908.06999 [astro-ph.GA]
Kyle S. Honegger, Matthew A.-Y. Smith, Matthew A. Churgin, Glenn C. Turner, and Benjamin L. de Bivorta (2019), Idiosyncratic neural coding and neuromodulation of olfactory individuality in Drosophila, PNAS, doi: 10.1073/pnas.1901623116
Jilei Liu et al (2019), Integrated Catalysis-Surface Science-Theory Approach to Understand Selectivity in the Hydrogenation of 1-Hexyne to 1-Hexene on PdAu Single-Atom Alloy Catalysts, ACS Catal, doi: 10.1021/acscatal.9b00491
Xiya Lu, Juan Duchimaza-Heredia, Qiang Cui (2019), Analysis of Density Functional Tight Binding with Natural Bonding Orbitals,J. Phys. Chem. A, doi: 10.1021/acs.jpca.9b05072
Atoallah Mesgarnejad and Alain Karma (2019), Vulnerable Window of Yield Strength for Swelling-Driven Fracture of Phase-Transforming Battery Materials, arXiv: 1908.02175 [physics.app-ph]
César Omar Ramírez Quiroz et al (2019), Interface Molecular Engineering for Laminated Monolithic Perovskite/Silicon Tandem Solar Cells with 80.4% Fill Factor, Advanced Functional Materials, doi: 10.1002/adfm.201901476
V.V. Volkov, R. Chelli, R. Righini, C.C. Perry (2019), Indigo chromophores and pigments: Structure and dynamics, Dyes and Pigments, doi: 10.1016/j.dyepig.2019.107761
Yi Wen, Colin Ophus, Christopher S. Allen, Shiang Fang, Jun Chen, Efthimios Kaxiras, Angus I. Kirkland, Jamie H. Warner (2019), Simultaneous Identification of Low and High Atomic Number Atoms in Monolayer 2D Materials Using 4D Scanning Transmission Electron Microscopy, Nano Lett., doi: 10.1021/acs.nanolett.9b02717
Yaqin Xia, Qiuming Chen, Eugene I. Shakhnovich, Wenli Zhang, Wanmeng Mu (2019), Simulation-guided enzyme discovery: A new microbial source of cellobiose 2-epimerase, International Journal of Biological Macromolecules, doi: 10.1016/j.ijbiomac.2019.08.075
Huan Yang, Prasad Bandarkar, Ransom Horne, Vitor B. P. Leite, Jorge Chahine, and Paul C. Whitford (2019), Diffusion of tRNA inside the ribosome is position-dependent, The Journal of Chemical Physics, doi: 10.1063/1.5113814
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 

Links

MGHPCC Publications

Research projects

A Future of Unmanned Aerial Vehicles
Yale Budget Lab
Volcanic Eruptions Impact on Stratospheric Chemistry & Ozone
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
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
Impact of Marine Heatwaves on Coral Diversity
IceCube: Hunting Neutrinos
Genome Forecasting
Global Consequences of Warming-Induced Arctic River Changes
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
Asteroid Data Mining
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
Building for Floods
Better Pathogen Targeting
Tracking Environmental Health Risks
AI for Cancer Diagnosis
Microplastic-Free by Design
Supporting Data-intensive Social Science
Sailing the Symbiosis Seascape
Wrangle Range Modeling
Shining a Light on Dark Matter
Grid Responsive Data Centers
Multifunctional 3D-Printed Materials
AI Pareidolia
Computing Hidden Health Threats from Heat
Staving off the Banana Apocalypse
CRISPR Mice, Smarter Science
AI That Speaks Human About Health
A Safer Way to See Inside Cells
How Monkeys - and Machines - See in 3D
FlowER: AI for Predicting Chemical Reactions
Bone Ratios and Big Data
Supercomputers Reveal Ancient Atmospheric Battle
All Research Projects

Collaborative projects

ALL Collaborative PROJECTS

Outreach & Education Projects

See ALL Scholarships
100 Bigelow Street, Holyoke, MA 01040