Preview of presentations at 2017 AIChE Annual Meeting in Minneapolis by faculty candidate Jeffrey S. Lowe

1. Faculty candidate:
Jeffrey S. Lowe
Affiliation: PhD Candidate, Siegel Group
Department of Chemical Engineering
University of Michigan
Email: jefflowe@umich.edu
Personal website
1
Poster: Sunday, 10/29 1:00-
3:30 pm, Exhibit Hall B,
Convention Center
Candidate talk: Tuesday, 10/31
2:00-2:15 pm, M100C,
Convention Center
Research talk: Thursday, 11/2
2:39-2:57 pm, M100B,
Convention Center

2. Discovery of thermal energy storage
materials with machine learning
2
Capturing waste heat (e.g., heat lost in electricity generation):
Using stored heat as a source of energy:
Publication
S. Kiyabu, J.S. Lowe, A. Ahmed, and D.J. Siegel, “Computational screening of hydration reactions for
thermal energy storage,” In preparation

3. Solvent decomposition in Mg
batteries using first principles
3
Publication
J.S. Lowe and D.J. Siegel, “Reaction pathways for solvent decomposition on model magnesium anodes,” In
preparation
Mg (0001) MgO (100) MgCl2 (0001)

4. Adapted from Zimmerman, Finnis, and Ciachi, J. Chem. Phys. 130 134714 (2009)
Simulated oxidation of Li metal
anode using first principles
4
1. Li (111) surface
relaxed with DFT
2. O2 molecule (at
rest) added 3.0 Å
above surface
3. Run AIMD for 4 ps
4. Repeat steps 2
and 3 for additional
O2 molecules
2 3 4