Partner Profile: Kwabi-McNeil-Goldsmith team

"We were excited about this project because climate change is an important societal problem that must be addressed."  ~Dr. David Kwabi

This unique issue of the Global CO₂ Initiative newsletter features a team of people, rather than an individual: Dr. David Kwabi (PI), Dr. Anne McNeil (Co-PI) and Dr. Bryan R. Goldsmith (Co-PI). These three University of Michigan faculty members were recently accepted to participate in the Microsoft Climate Research Initiative (MCRI), a community of multi-disciplinary researchers working together to fight climate change.

Their project, “Computational Design and Characterization of Organic Electrolytes for Flow Battery and Carbon Capture Applications,” seeks to use generative machine learning models and quantum mechanical modeling to drive the discovery and optimization of a new class of organic molecules for energy-efficient electrochemical energy storage and carbon capture. It is of particular importance because energy storage is essential to enable 100% zero-carbon electricity generation.

In addition to U-M PhD students Cameron Gruich, Siddhant Singh, and Jessica Tami, they will also work with team members from Microsoft: Bichlien Nguyen, Karin Strauss, Jake Smith, Kali Frost, Ziheng Lu, Yingce Xia

Dr. Kwabi, Assistant Professor of Mechanical Engineering and Global CO₂ Initiative Faculty Affiliate, earned his PhD in mechanical engineering from the Massachusetts Institute of Technology (MIT) and worked as a postdoctoral fellow at Harvard University. The Kwabi research group investigates the interplay between electrochemical charge transfer reactions and bulk phase transformations, involving expertise in mechanical engineering, physical chemistry and materials science. He is also an avid tennis fan.

Dr. McNeil, is the Carol A. Fierke Collegiate Professor and Arthur F. Thurnau Professor of Chemistry and Macromolecular Science and Engineering.Her current research interests include chemical recycling of waste plastic, methods for capturing microplastics, and identifying new materials for redox flow batteries. Prior to Michigan, Anne was a L’Oreal Post-doc Fellow at MIT. She earned her PhD from Cornell and graduated summa cum laude with a BS in Chemistry from the College of William and Mary. In addition to hiking, gardening, and RV camping, she also enjoys playing ukulele.

Dr. Goldsmith, a Dow Corning Assistant Professor, earned his PhD in chemical engineering from the University of California Santa Barbara. He was a Humboldt Postdoctoral Fellow in the Theory Department at the Fritz Haber Institute of the Max Planck Society in Berlin, Germany. His overarching research goals are to use first-principles computational modeling and data science tools to understand and design catalysts and materials for sustainable chemical conversion, pollution reduction, and energy generation/storage. An identical twin, he can usually be found playing basketball when he is not doing science.

Can you explain your project?

The goal of our project is to design molecules that can be used to efficiently store large amounts of renewable electricity and capture carbon dioxide (CO₂), which will help to combat climate change. Our approach is to first identify promising molecules from a large library of possible molecules using machine learning and computer simulation. Afterwards, we will synthesize the most promising of these candidates in the lab, and measure how well they perform at energy storage and CO₂ capture using a type of battery called a “flow battery.”

Why is it important?

Using large amounts of renewable energy and capturing carbon dioxide from the environment are two crucial strategies for mitigating climate change.

What was your reaction when you found out that your proposal was accepted?

We were excited about this project because climate change is an important societal problem that must be addressed. In addition, the project will combine Microsoft’s capabilities in the fields of artificial intelligence, machine learning and large-scale computing with our own expertise in molecular design and synthesis, as well as flow battery testing. The cross-disciplinary and deeply collaborative nature of this work is sure to be intellectually exciting and may lead to breakthroughs to combat climate change.

What advice do you have for other researchers in the field who might wish to work with Microsoft in the future?

Identify a problem you’re working on that would benefit from Microsoft’s expertise.

Where do you find inspiration?

We find inspiration from many places and settings, including conversations with students and colleagues, going to conferences, reading cutting-edge articles, and listening to science podcasts!

Flow battery diagram courtesy of the International Flow Battery Forum.

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To Remove CO₂ From the Atmosphere, Imagine the Possibilities

Imminent Events

How do we implement CO₂ capture and utilization at scale and speed?

September 22, 2022

Which carbon capture and utilization technologies will deliver the highest climate benefits and yield a profit? Among those, which are ready for deployment now? The Global CO₂ Initiative will releasing a research report and holding a webinar to summarize key findings. Join the Global CO₂ Initiative virtually at Climate Week NYC as we discuss these questions and more.

Climate Week NYC 2022

September 19 -25, 2022

Climate Week NYC 2022, marks its fourteenth year as the biggest global climate event of its kind. Bringing together the most influential leaders in climate action from business, government, and the climate community, in conjunction with the United Nations General Assembly and the City of New York. Climate Week NYC creates an ambitious platform for our mission to drive climate action. Fast. 

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