About The Midwest
Theoretical Chemistry Conference

For 51 years, the MWTCC has been a distinctive meeting where students, faculty, and scientists come together in a relaxed environment to share their latest results in theoretical and computational chemistry. The MWTCC is a short, inexpensive and intensely focused meeting. Participants will be able to learn about the latest advances, present their work, and build relationships with other researchers from around the Midwest.

Poster session

Thursday night will be a poster session with pizza and local beer. Poster prizes will be awarded on Friday!

Keynote lecture and banquet

Our keynote lecture will be delivered on Friday night before a catered banquet dinner.

1.5 days of great talks

We have contributed and invited talks from students, postdocs, and faculty from all over the midwest.



Location

The MWTCC at the University of Notre Dame will take place in Jordan Hall of Science on Notre Dame's South Bend, Indiana campus.

Registration details

Registration fees are used to cover event logistics, space and services, coffee, snacks, and meals.

Undergraduate and Graduate Students

$125

Postdocs, Faculty, and other scientists

$200




Housing Information

Due to summer dorm renovations, all housing this year is in off-campus facilities. Blocks of rooms are reserved at several hotels near the Notre Dame campus. All of the hotels will be offering complimentary breakfast for MWTCC guests. Free parking is also available 0.4 miles from Jordan Hall of Science (JHS), where the technical sessions will take place. Availability is limited, so we suggest making reservations early. Please mention the MWTCC for the rates listed below. There are also other hotels located close to campus with availability.

The Morris Inn (0.6 miles to JHS)
morrisinn.nd.edu
574-631-2000
Single rooms (king bed) – $169/night + tax
Valet parking – $20/night
Self-parking – free
www.ivycourt.com
574-277-6500
Double rooms (2 double beds) – $110/night + tax
Double suites (2 double beds plus a pull out sofa) – $135/night + tax
Free on-site parking
For special rate, enter Group Attendee Code 19-060 at bottom.
  • bit.ly/2TuiyMN
  • 574-234-2000
  • Double rooms (2 double beds) – $119/night + tax
  • Self-parking is free if you mention the MWTCC conference
  • This hotel is in revitalized downtown South Bend and offers the greatest range of convenient entertainment options in the evening.

Invited Speakers

An interdisciplinary group of theoretical and computational scientists from all over the Midwest.

Richard Stratt

Keynote Speaker

Brown University

Geoff Hutchison

University of Pittsburgh

Sara E. Mason

University of Iowa

\

Clare McCabe

Vanderbilt University

Katie Mitchell-Koch

Wichita State University

Sherwin Singer

The Ohio State University

Suri Vaikuntanathan

University of Chicago

MWTCC Event Schedule

Unless otherwise specified, events take place in the Jordan Hall of Science

Please have your posters up at the beginning of the appropriate poster session.

(5:30-7:00) Poster Session 1
(7:00-8:30) Poster Session 2
8:30 - 8:35 Dan Gezelter - Welcome
8:35 - 9:10Sara Mason - Building bridges between computational chemistry and experiment at the nanoscale: Impacts on energy and the environment
9:10 - 9:30Avijit Shee - Coupled cluster theory as a local and non-local method in self-energy embedding theory (SEET)
9:30 - 9:50Sohang Kundu - Modular path integral for Frenkel exciton dynamics
9:50 - 10:10Igor Gayday - Analysis of the bound states reveals a possible explanation for the isotope effect in ozone
10:30 – 11:05Geoff Hutchinson - Evolving molecular targets: Using electronic structure and machine learning for inverse design
11:05 – 11:25Ari Chakraborty - Development of effective stochastic potential method using random matrix theory for efficient conformational sampling of molecular quantum mechanical properties at non-zero temperatures
11:25 – 11:45Kevin Carter-Fenk - Accurate and efficient symmetry-adapted perturbation theory with many-body dispersion: Supramolecular interactions at molecular cost
11:45 – 12:05Ryan DeRue - A computational investigation into potential stabilizing agents for methane clathrates
1:40 – 2:15Clare McCabe - Utilizing the molecular simulation design framework (MoSDeF) to screen soft matter systems
2:15 – 2:35Alexei Kananenka - Machine learning for vibrational spectroscopic maps: HOD in D2O
2:35 – 2:55Shana Havenridge - Analytical excited state gradients for time-dependent density-functional theory plus tight binding
2:55 – 3:15Anirban Mandal - Nonadiabatic transition probabilities versus Dirac transition probabilities: Toward possible experimental tests for a quantum system in the presence of a plateau pulse
3:35 – 4:10Suri Vaikuntanathan - Design principles for organization and self-assembly far from Equilibrium
4:10 – 4:30Nicole DeGregorio - Efficient sampling with Shannon entropy and tensor network adaptive dimensional decoupling for compression of quantum nuclear wave functions and potential energy surfaces
4:30 – 4:35Steve Corcelli - Introduction of Keynote Speaker
4:35 – 5:25Keynote Speaker - Richard Stratt
8:35 – 9:10Sherwin Singer - Structure and dynamics of the electrical double layer: Electrokinetics near silica and DNA
9:10 – 9:30Michael Esch - Towards modeling nonadiabatic dynamics in dense manifolds of electronic states
9:30 – 9:50Luis Rivera-Rivera - Beyond Born-Oppenheimer: A canonical perspective
9:50 – 10:10Teng Bian - Quantum computing methods for electronic states of the water molecule
10:30 – 11:05Katie Mitchell-Koch - How does solvation layer mobility affect protein dynamics?
11:05 – 11:25Jaehyeok Jin - Rigorous modeling of hydrogen bonding in coarse-grained models: Two different approaches
11:25 – 11:45Ellen Mulvihill - Combining the mapping Hamiltonian linearized semiclassical approach with the generalized quantum master equation to simulate electronically nonadiabatic molecular dynamics
11:45 – 12:05Prajay Patel - Using the correlation consistent composite approach and density functional theory in generating potential energy surfaces for vibrational properties
12:05 – 12:10 Farewell

Sponsors

Midwest Theoretical Chemistry Conference