UMN Research Computing and the MN Section of the American Chemical Society are gratefully acknowledged for their support.
The Forty-Seven Midwest Undergraduate Computational Chemistry Consortium
(MU3C) Conference
July 12-14, 2026
University of Minnesota, Twin Cities
Sunday, July 12, 2026
Talk in Smith Hall 117/119
7:00 PM “Molecular Dynamics & Monte Carlo Primer”, Prof. Dani Kohen, Carleton College.
Monday, July 13, 2026
Talks in Fraser Hall 101, Meals in Fraser Hall Commons
8:30 AM Breakfast
9:00 AM Conference welcome. Daniela Kohen, Carleton College.
9:10 AM “Accelerating Initiation of Ruthenium Ethenolysis Catalysts”, Aerin Trouette & Samuel Koehler, University of Portland
9:33 AM “Computational Investigation of Cooperative Cobalt Silylene Catalysis”, Daniel Zhang and Ellewyn Swafford, Carleton College
9:56 AM “Computational Investigation of Azine Reduction at Cobalt Bis-Alkoxide”, Henri Ciliberto, Grand Valley State University
10:13 AM “Investigating Selectivity Trends in Ruthenium-Catalyzed Ethenolysis”, Gabriel Barrionuevo, University of Portland
10:30 AM “Mechanistic Analysis of the Tautomerization of Troggers Base Derivatives”, Gemma Hodges, University of Minnesota, Morris.
10:47 AM Break
11:00 AM “Chemistry at the Intersection of Quantum Sciences”, Prof. Kade Head-Marsden, University of Minnesota, Twin Cities. Director of Chemical Theory Center.
11:20 AM “Predictive Modeling of Chemical Separations”, Prof. Ilja Siepmann, University of Minnesota, Twin Cities.
11:40 AM Lunch
12:40 PM “Role of Central Arene Rotators and Ag+, I+, and PdCl2 Centers in Trapezoidal Macrocycles as Molecular Rotors”, Benny Torres and Max Brumett, Wabash College
1:03 PM “Classical Modeling of CO-N2 Collisions and Their Effects on CO Spectral Line Broadening”, Delaney Griffioen, Grand Valley State University
1:20 PM “Probing the path from Hydrazones to BF2-Azo Dyes and/or BF2-Hydrazones”, Jacob J. Rapelje, Hope College
1:37 PM “Computational Studies into the Total Synthesis of Waltherione C “, Kiarra Kahl and Tatum Packard, Ripon College
2:00 PM “Computational Screening of Next Generation Ligands for Mo-Cu Carbon Monoxide Dehydrogenase Reactivity”, Joshua Bush, Grand Valley State University
2:17 PM “A Computational Investigation to Identify Novel ESIPT and Dual Fluorescent Dyes”, Alli Johnson, Macalester College
2:34 PM “Experimental and Computational Investigation of the Mechanism of Chloride Dependence in System xC–“, Gabriel Seaver, Hope College
2:51 PM “First Principles Molecular Simulations of Ammonia in LTA”, Ansel Wallace, Carleton College
3:08 PM Break
3:20 PM “Reinventing Density Functional Theory”, Prof. Don Truhlar, University of Minnesota, Twin Cities.
4:00 p.m. MU3C faculty business meeting in; UofM Chemistry Department Tour for MU3C students
6:30 p.m. Conference dinner at Tea House Chinese Restaurant, 2425 University Ave SE, Minneapolis.
Tuesday, July 14, 2026
Talks in Fraser Hall 101, Meals in Fraser Hall Commons
8:30 AM Breakfast
9:00 AM “Protonation versus Silver Coordination in ‘Clamped’ Molecules”, Nate Litts, Wabash College
9:17 AM “Multielectron Redox in Sulfide Cathode Materials for Li-ion Batteries”, Prof. Chris Bartel, University of Minnesota, Twin Cities.
9:37 AM “Variance-based Approaches for Molecular Excited States”, Prof. Anthony Schlimgen, University of Minnesota, Twin Cities.
9:57 AM “Preparation of biochar surfaces for environmental contaminant absorption”. Chloe Walt. University of St. Thomas
10:14 AM “Molecular Dynamics Parameters for Fluorescent Protein Chromophores MiCy and mCherry”, India Thomas, Hope College
10:31 AM Break
10:49 AM “Computational Analysis of Sodium Bicarbonate Proton Donors,” Luka O’Neal, University of Minnesota, Morris.
11:06 AM “DFT study of salen-based catalysts for polymer synthesis”. Daniel Osmond, University of St. Thomas
11:23 AM “Computational prediction of magnetic circularly polarized luminescence (MCPL) spectra”, Charlene Yen Xin Chia, Hope College
11:40 AM ” Substituent Effects and the Origins of Regioselectivity in Hetero-Ene Reactions of Sulfur Imides and Unactivated Alkenes”, Prof. Melissa Ramirez, University of Minnesota, Twin Cities.
12:00 PM Lunch
1:00 PM MU3C faculty lead a panel on working at primarily undergraduate institutions.
Groups Attending
Prof. Cao, Macalester College
Prof. D’Acchioli, University of Wisconsin, Stevens Point
Prof. Gillmore, Hope College
Prof. Kazmierczak, Hope College
Prof. Kohen, Carleton College
Prof. Krueger, Hope College
Prof. Kuwata, Macalester College
Prof. Layfield, University of St. Thomas
Prof. Lord, GVSU
Prof. Scanlon, Wabash College
Prof. Taylor, University of Portland
Prof. Willoughby, Ripon College
Prof. Winikoff, University of Minnesota, Morris
