Summer 2020 Virtual Conference

The Thirty Fifth Midwest Undergraduate Computational Chemistry Consortium Conference Schedule

Wednesday July 29th

Links to all Zoom sessions are provided in the conference program and on the poster session site.

10:15am Stacey Stoffregen, University of Wisconsin-River Falls, Welcome to the Thirty Fifth MU3C Conference

10:30am Katie Felde, University of St. Thomas, Reparametrizing semi-empirical electronic structure methods to calculate ro-vibrational spectra of astrochemically relevant molecules

11am Mark Gordon, Iowa State University, Quantum chemistry research at Iowa State University/Ames Laboratory

  • Alex Bauer, Hope College, Understanding water quality in the Lake Macatawa watershed using machine learning
  • Veronica Freund, University of St. Thomas, Tight-binding methods for the calculation of vibrational structure of astrochemical molecules
  • John Linderman, Cornell College, Role of the density functional in graphene-based carbon dioxide capture systems
  • Yifan Liu, Macalester College, Reactivity of vinyl hydroperoxides and new rearrangement pathways in isoprene ozonolysis
  • Tori Zottarelli, University of Portland, DFT studies of the transmetalation mechanism in Stille cross-coupling reactions
  • Jack Prebish, Cornell College, Model graphene systems for carbon dioxide capture: Role of hydrogen transfer

2:15pm Jared Anderson, Iowa State University Graduate school at ISU information session

3:00pm Kirsten Funk, Ripon College, Computational determination of a S-arylation reaction by Br2

3:30pm Christof Zweifel, Carleton College, Molecular insight into cation motion within MFI zeolite

Thursday July 30th

Links to all Zoom sessions are provided in the conference program and on the poster session site.

9:00am MU3C Faculty Business Meeting (link emailed to faculty)

10:30am Trey Maddaleno, Truman State University, Mechanistic determination of the tautomerization of carbamoyl derivatives of Troger’s base

11am Davit Potoyan, Iowa State University, The joys of computational chemistry and biology

1pm MU3C Poster Session #2

  • Rowan Olson, University of St. Thomas, Dynamics of beta-hairpin folding peptides
  • Connor Martin, Macalester College, The ozonolysis of the new refrigerant trans-1,1,1,3-tetrafluoroprop-2-ene
  • Manik Reddy, Macalester College, Computational study of oxidation products derived from hydroxyl radical addition to isoprene
  • Lauren Way, Carleton College, Using transition state analogues to predict enantioselectivity
  • Annika Mankel, Hawaii Pacific University, Investigating a quantitative relationship between bond angles and lone pair size in hypervalent structures
  • Michelle Rodriguez, University of Portland, Mechanistic study of the aza-Wacker cyclization

2:15pm Graduate School Panel Discussion, Panel Members: Jorge Galvez Vallejo, Ian Morgan, Ellie Fought, Iowa State University

3:30pm Aubrey Putansu, University of Portland, Improving ethenolysis using the cyclic alkyl amino carbene ligand on ruthenium catalysts

4:00pm Irene Stoutland and Zach Dinardo, Carleton College, Computational investigation of cobalt silylene and related compounds

Friday July 31st

Links to all Zoom sessions are provided in the conference program and on the poster session site.

10:30am Colin Bradley, Hope College, Computing UV-Vis-NIR absorbance spectra of a library of novel long-wavelength azo dyes

11am Theresa Windus, Iowa State University, Catching chemistry collaborations

1pm MU3C Poster Session #3

  • Grace Koller, Bethel University, The decomposition of hydroxyalkyl hydroperoxides in the troposphere
  • Adam Tuma, Macalester College, Oxidation and H-shift reactions of the 1-OH isoprene radical
  • Kexin Zhang, Macalester College, Ozonolysis reaction analysis on new refrigerant 3,3,3-trifluoropropene
  • Emma Morrow, University of Portland, Reactivity of halohydrins in epoxide-forming SN2 reactions
  • Marijane Morse and Natalie Woodland, Grand Valley State University, Computational exploration of group transfer catalysts featuring a tethered bis-alkoxide ligand

2:15pm Panel Discussion: Faculty Positions at PUIs, Panel Members: Sam Alvarado, Jason Gillmore, Dani Kohen, Brent Krueger, Keith Kuwata, Josh Layfield, Richard Lord, Christine Morales, Joe Scanlon, Stacey Stoffregen, Craig Teague, Buck Taylor, and Stuart Winikoff (link emailed to faculty)

3:30pm Alisha Harvat, Caitlin McNulty, and Abby Stitgen, Ripon College, Understanding azide trap regioselectivities and distortion angles of phosphonyl benzynes


  • Jared Anderson, Iowa State University
  • Mark Gordon, Iowa State University
  • Davit Potoyan, Iowa State University
  • Theresa Windus, Iowa State University
  • Ellie Fought, Iowa State University
  • Jorge Galvez, Iowa State University
  • Ian Morgan, Iowa State University
  • Grace Koller, Bethel University
  • Dani Kohen, Carleton College
  • Zach Dinardo, Carleton College
  • Irene Stoutland, Carleton College
  • Lauren Way, Carleton College
  • Christof Zweifel, Carleton College
  • Craig Teague, Cornell College
  • John Linderman, Cornell College
  • Jack Prebish, Cornell College
  • Richard Lord, Grand Valley State University
  • Marijane Morse, Grand Valley State University
  • Natalie Woodland, Grand Valley State University
  • Christine Morales, Hawaii Pacific University
  • Annika Mankel, Hawaii Pacific University
  • Jason Gillmore, Hope College
  • Brent Krueger, Hope College
  • Alex Bauer, Hope College
  • Colin Bradley, Hope College
  • Keith Kuwata, Macalester College
  • Yifan Liu, Macalester College
  • Connor Martin, Macalester College
  • Manik Reddy, Macalester College
  • Adam Tuma, Macalester College
  • Kexin Zhang, Macalester College
  • Joe Scanlon, Ripon College
  • Kirsten Funk, Ripon College
  • Alisha Harvat, Ripon College
  • Caitlin McNulty, Ripon College
  • Abby Stitgen, Ripon College
  • Stuart Winikoff, Truman State University
  • Trey Maddaleno, Truman State University
  • Buck Taylor, University of Portland
  • Emma Morrow, University of Portland
  • Aubrey Putansu, University of Portland
  • Michelle Rodriguez, University of Portland
  • Josh Layfield, University of St. Thomas
  • Katie Felde, University of St. Thomas
  • Veronica Freund, University of St. Thomas
  • Rowan Olson, University of St. Thomas
  • Sam Alvarado, University of Wisconsin-River Falls
  • Stacey Stoffregen, University of Wisconsin-River Falls