Welcome to the MGHPCC Virtual Booth

Worcester Polytechnic Institute

Developing Advanced Materials for a Sustainable Energy Future

Fanglin Che and her group use computers at the MGHPCC in their work centered around AI-guided multi-scale and multi-physics simulations of catalysis and material science.

The usability and costly storage issues of renewable electricity from solar or wind energy become major challenges on a global scale due to the daily and seasonal variability of sunlight or wind and the geographic inequality of energy needs. A promising solution to address the above challenges lies in electrified modular chemical processes, which provide a sustainable approach to store intermittent energy chemically.

Theoretically determining and quantifying the roles of electrified interfacial structure and field-dipole interactions on controlling the activity and selectivity of chemical processes and then integrating these roles to establish deep collaborations between physics-informed, interpretable machine learning and electrified interfacial chemical processes is crucial for rationally designing catalysts for these electrified modular systems for energy storage and sustainable chemical production.

Research in the Che Group has focused on several systems that take advantage of process intensification by converting abundant resources, e.g., carbon dioxide, natural gas, and nitrogen, into valuable chemicals. The systems include: (1) organic-inorganic interface and its impact on carbon reactive capture and selective conversion; (2) field-dipole interaction effects on ammonia decomposition and synthesis for hydrogen utilization, storage, and production.

Copper makes a great catalyst for turning carbon dioxide into useful chemicals, but it has some limitations. To improve its catalyzing qualities, researchers have added tiny amounts of platinum or similar metals to copper. This combination helps the copper convert CO2 into chemicals instead of making hydrogen, which is an unwanted side reaction. The researchers found that introducing small clusters of platinum or palladium onto copper surfaces can effectively produce chemicals like methane and ethylene. This new approach gives more options for using copper in CO2 reduction.

Fanglin Che
Associate Professor, Worcester Polytechnic Institute

Principal Members

Yale

Featured Projects

A complicated future for a methane-cleansing molecule (working title)
SC25 Project
A Safer Way to See Inside Cells
Adaptive Deep Learning Systems Towards Edge Intelligence
SC25 Project
AI for Cancer Diagnosis
SC25 Project
AI Pareidolia
SC25 Project
AI That Speaks Human About Health
Ancient DNA reveals pervasive directional selection across West Eurasia (working title)
Bayesian Deep Gaussian Processes for Correlated Functional Data (working title)
SC25 Project
Better Pathogen Targeting
Research Computing Center
BU Research Computing Services
SC25 Project
Building for Floods
Campus Research Computing Consortium
Cellular Protein Electrochemical Balance (working title)
Combining AI with laboratory evolution yields improved proteins (working title)
Computation + Machine Intelligence | Wu Tsai Institute
Computational Modeling of Biological Systems
Computer Simulatioons Show Strong Ocean Currents Reduce Size of Surface Waves (working title)
SC25 Project
Computing Hidden Health Threats from Heat
Contribution of Task-Irrelevant Stimuli to Drift of Neural Representations (working title)
Deciphering Alzheimer's Disease
Developing Advanced Materials for a Sustainable Energy Future
Earth & Planetary Sciences at Harvard University
MGHPCC Project
Ecosystem for Research Networking
Efficient cooling method could enable chip-based trapped-ion quantum computers (working title)
Energy Science Network
MGHPCC Project
Expanding Computing Education Pathways (ECEP) Alliance
FABRIC Testbed
SC25 Project
FlowER: AI for Predicting Chemical Reactions
SC25 Project
Grid Responsive Data Centers
Research Computing Center
Harvard FASRC
IceCube: Hunting Neutrinos
Identifying non-coding variant effects at scale via machine learning models of cis-regulatory reporter assays (working title)
IEEE High Performance Extreme Computing Conference
Impact of Marine Heatwaves on Coral Diversity
Impulse response functions as a framework for quantifying ocean-based carbon dioxide removal (working title)
Internet2
Research Computing Center
Lincoln Laboratory Supercomputing Center (LLSC)
SC25 Project MGHPCC Project
Massachusetts AI Hub
SC25 Project MGHPCC Project
MGHPCC AI Computing Resource (AICR)
MGHPCC Supercloud
SC25 Project
Microplastic-Free by Design
MIT chemists design impact-resistant plastics (working title)
Research Computing Center
MIT Office of Research Computing and Data
SC25 Project
Multifunctional 3D-Printed Materials
MGHPCC Project
National Data Platform
SC25 Project
Naval and Ocean Renewable Energy Hydrodynamics
Research Computing Center
NEU Research Computing
New MetaMaterials Take Inspiration from Deep Sea Sponges (working title)
Northeast Research and Education Network
MGHPCC Project
Northeast Storage Exchange
Northern Crossroads
Novel study at URI seeks to treat neurological symptoms of rare genetic disorder (working title)
Open Cloud Testbed
ORCD Seed Fund
SC25 Project MGHPCC Project
OSN - Open Storage Network
Planning, Reminders and Micro-Incentives to Walk After Traumatic Brain Injury: A Pilot Randomized Control Trial (working title)
MGHPCC Project
PNRP- protype national research platform
Researchers develop molecular editing tool to relocate alcohol groups (working title)
Revolutionizing Materials Design with Computational Modeling
SC25 Project
Sailing the Symbiosis Seascape
Shear-Induced Structural Convergence but Formation-History-Dependent Yielding in Sequentially Gelled Binary Colloidal Networks (working title)
SC25 Project
Shining a Light on Dark Matter
Simulating Large Biomolecular Assemblies
Single-molecule tracker illuminates workings of cancer-related proteins (working title)
Software for Unreliable Quantum Computers
SC25 Project
Staving off the Banana Apocalypse
SC25 Project
Supporting Data-intensive Social Science
The Kempner Institute - Unlocking Intelligence
The US ATLAS Northeast Tier 2 Center
This AI scientist can run an X-ray experiment. Self-driving labs may come next (working title)
SC25 Project
Tracking Environmental Health Risks
Research Computing Center
UMass - URI Unity Cluster
Research Computing Center
UMass Amherst Research Computing and Data
Unity HPC and AI Platform
Research Computing Center
URI Institute for AI & Computational Research
SC25 Project
Wrangle Range Modeling
Yale Budget Lab
Yale Center for Genome Analysis (YCGA)
Research Computing Center
Yale Center for Research Computing
Yale Department of Earth and Planetary Sciences
Zebrafish Reveal New Insights into Biology of Autism (working title)
100 Bigelow Street, Holyoke, MA 01040