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November 2020


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Alexander Dowling <[log in to unmask]>
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Alexander Dowling <[log in to unmask]>
Thu, 5 Nov 2020 10:24:12 -0500
text/plain (5 kB) , text/html (17 kB) , 2020 CBE Flyer.pdf (315 kB)
Dear Colleagues,

Please share this email with any students that are interested in Ph.D.
research in computational chemical engineering.

I am excited to share openings for at least four Ph.D. students in my
research group ( at the University of Notre Dame
focused on process systems engineering to start in Summer or Fall 2021.

*Project 1: Design Integration and Synthesis Platform to Advance Tightly

*Hybrid Energy Systems (DISPATCHES). *This project, in conjunction with the
Institute for the Advances Design of Energy Systems (IDAES), is developing
novel analysis capabilities through multiscale modeling of energy
conversion systems and energy markets. Our work at Notre Dame focuses on
creating new computational strategies that integrate optimization-based
conceptual design, operations, and control of hybrid energy systems with
region-scale cost product models to explore complex interdependencies in
the electric grid. Learn more here:

*Project 2: Uncertainty Quantification and Optimization with Hybrid Models
for Molecular-to-Systems Engineering.* This project seeks to establish
rigorous mathematical frameworks to quantify the information loss and
epistemic uncertainty induced by multiscale model reduction. Hybrid models
can overcome this challenge by augmenting physics-based equations with
data-driven machine learning constructs (e.g., Gaussian Processes) to
quantify the effects of missing, unknown, or simplified physics. We plan to
explore many broad applications including reaction engineering, membrane
science, and systems biology. Learn more here:

*Project 3: Integrating Molecular Simulations and Process Optimization.* In
this ongoing collaborative project with Prof. Ed Maginn (Notre Dame), we
are creating new computational frameworks that integrate molecular
simulations with equation-based process optimization. This includes
leveraging machine learning and optimization to automatically tune and
validate molecular forcefields. Learn more at our upcoming AIChE

*Project 4: Integrating multiscale modeling and multimodal experiments to
decode systems-level molecular mechanisms of epithelial systems.* In this
new collaborative project with Prof. Jeremy Zartman (Notre Dame), we seek
to integrate state-of-the-art imagining experiments, multiscale modeling,
and machine learning to understand mechaisms that govern celluar growth and
biomechanics. This project is excellent for students interested in
biotechnology and systems biology that want training in both experiments
and computation during their Ph.D.

Please write to me at [log in to unmask] to learn more. These projects are
well-suited for students with a background outside chemical engineering,
i.e., those with an undergraduate degree in math, statistics, computer
science, biology, or another engineering discipline.

In addition to my research group, the *Computational Molecular Science and
Engineering Laboratory* (CoMSEL, at the University of Notre
Dame anticipates opennings for at least ten to fifteen Ph.D. students to
start in Fall 2021. Our newly renovated space is home to five research
groups in Chemical and Biomolecular Engineering:

   - Prof. Yamil Col√≥n (
   - Prof. Alexander Dowling (
   - Prof. Edward Maginn (
   - Prof. William Schneider (
   - Prof. Jonathan Whitmer (

CoMSEL is a collaborative research environment with recognized excellence
in computational catalysis, molecular simulations, data science, and
process systems engineering. We offer Ph.D. students unique training at the
intersection of these emerging computational areas of chemistry and
chemical engineering, including opportunities to pursue an M.S. in Applied
and Computational Mathematics and Statistics or a Graduate Minor in
Computational Science and Engineering.

Join the *info session *on November 10, 12-1 PM EST to learn about our
Ph.D. program and how to start the application process. Register at

Prospective students who are U.S. citizens/permanent residents or hold a
degree from a U.S. institution are encouraged to contact [log in to unmask] for an
application fee waiver.

More information about the Ph.D. program is available at

Thank you,

Alex Dowling

Alexander Dowling, Ph.D.
Assistant Professor
Chemical and Biomolecular Engineering
University of Notre Dame

Office: 369 Nieuwland Hall, Notre Dame, IN, 46556-5670
Phone: 574-631-4041
Email: [log in to unmask], [log in to unmask]