MTSM 2025 will be June 1-3, 2025. All events will take place in the Lake Mendota Room in Dejope Hall unless noted otherwise.
| June 1 | ||
| 17:00 | 20:30 | Welcome Reception on Dejope Lawn |
| June 2 | ||
| 08:00 | 09:00 | Breakfast and Coffee |
| 09:00 | 09:30 | Invited Talk: Chris Bartel, University of Minnesota, Twin Cities |
| 09:30 | 09:45 | Contributed talk – Computational design and optimization of Ca-Ce-Ti-Mn oxide perovskites for thermochemical hydrogen generation (Manish Kumar, Washington University in St. Louis) |
| 09:45 | 10:00 | Contributed talk – Machine-Learning Interatomic Potentials for Predictive Simulations of Laser-Driven Silicon Nanoparticle Synthesis (Thomas Sundberg, University of Michigan) |
| 10:00 | 10:15 | Contributed talk – Developing a consistent model for simulating mechanical and chemical degrees of freedom of stepping kinesin (Jutta Luettmer-Strathmann, University of Akron) |
| 10:15 | 10:30 | Contributed talk – Melting point (Tm) prediction of cyclic peptides from non-equilibrium molecular simulations (Karuna Anna Sajeevan, Iowa State University) |
| 10:30 | 10:45 | Contributed talk – Generalized Molecular Property Imputation Using a Flexible Transformer Architecture (Andrew B. Schofield, University of Notre Dame) |
| 10:45 | 11:00 | Contributed talk – Interpretable Visualizations of Data Spaces for Classification Problems (Christian Jorgensen, University of Wisconsin – Madison) |
| 11:00 | 13:30 | City Outing and Lunch |
| 14:00 | 14:30 | Invited Talk: Whitney Loo, University of Wisconsin – Madison |
| 14:30 | 14:45 | Contributed talk – Automated Prediction of the Reaction Networks Governing Electrolyte Degradation (Esra Ulgey, Purdue University) |
| 14:45 | 15:00 | Contributed talk – Effect of Nonclassical Electrostatic Interaction on Colloidal Gel Structure in Ionic Liquids (Hwigwang Lim, University of Wisconsin-Madison) |
| 15:00 | 15:15 | Contributed talk – Possible Martensitic-like Transformation in Discotic Liquid Crystals Confined within Microchannels (Nurjahan Khatun, Rice University) |
| 15:15 | 15:30 | Contributed talk – Computational Design of Functionalized Cyclodextrin Probes for Selective and Sensitive PFAS Detection in Water (Siddarth Achar, University of Chicago) |
| 15:30 | 15:45 | Bio Break |
| 15:30 | 17:00 | Poster Session with Babcock Ice Cream Social |
| 17:00 | 18:30 | Break |
| 18:30 | 21:00 | Banquet and Keynote, Fernando Escobedo, Cornell University (Alumni Room, Pyle Center) |
| June 3 | |||
| 08:00 | 09:00 | Breakfast and Coffee | |
| 09:00 | 09:30 | Invited Talk: Janani Sampath, University of Florida | |
| 09:30 | 09:45 | Contributed talk – Large-scale simulation of bottlebrush block copolymers in melts using coarse-grained, implicit side-chain model (Haisu Kang, University of Illinois at Urbana-Champaign) | |
| 09:45 | 10:00 | Contributed talk – A Generalized Framework for Developing Alchemical Coarse-grained Interaction Models for Self-assembling Polymer-grafted Nanoparticles (Melody Zhang, University of Michigan) | |
| 10:00 | 10:15 | Contributed talk – Coarse-grained simulations reveal ligand end group effects on nanoparticle adsorption to lipid bilayers. (Carlos Huang-Zhu, University of Wisconsin – Madison) | |
| 10:15 | 10:30 | Contributed talk – Effects of Chirality and Solvent Strength on Model Polycatenane Network Shapes (Ritav Das, The Ohio State University) | |
| 10:30 | 10:45 | Contributed talk – Role of Surface Electrostatics in Particle-Polyelectrolyte Complex Coacervates (Sirikarn Phuangthong, University of Illinois Urbana-Champaign) | |
| 10:45 | 11:00 | Coffee Break | |
| 11:00 | 11:30 | Invited Talk: LeeAnn Sager-Smith, Saint Mary’s College | |
| 11:30 | 11:45 | Contributed talk – Atomistic Features Affecting Conductivity in Organic Mixed Ionic – Electronic Conductors (Begum Yuksel, Purdue University) | |
| 11:45 | 12:00 | Contributed talk – A Morse Potential-Based Equation of State for Dense Fluids: A Statistical Fluid Theory Approach (Ehsan Heidaryan, Cornell University) | |
| 12:00 | 13:00 | Lunch | |
| 13:00 | 13:30 | Invited Talk: Alexander Pak, Colorado School of Mines | |
| 13:30 | 13:45 | Contributed talk – Systematically Building and Optimizing a Generalized Hydrofluorocarbon Refrigerant Force Field (Montana Carlozo, The University of Notre Dame) | |
| 13:45 | 14:00 | Contributed talk – Assessing the Capability of Machine-Learning Potentials to Reproduce Complex Interactions in Polymeric Systems Using Extrapolation (Natalie Hooven, UW-Madison) | |
| 14:00 | 14:15 | Contributed talk – Development of ChIMES machine learned interatomic potentials for all silica MFI zeolites (Vallabh Vasudevan, University of Michigan) | |
| 14:15 | 14:30 | Contributed talk – Anisotropic Coarse-Graining with Machine Learning Representations (Arthur Lin, UW Madison) | |
| 14:30 | 15:00 | Closing Remarks | |
Please visit the registration page for information on registering for the conference and submitting an abstract for consideration.
Keynote Speaker
Fernando Escobedo
Samuel W. and Diane M. Bodman Professor
Department of Chemical Engineering
Cornell University
Invited Speakers
Chris Bartel
Assistant Professor
Department of Chemical Engineering and Materials Science
University of Minnesota – Twin Cities
Whitney Loo
Assistant Professor
Department of Chemical and Biological Engineering
University of Wisconsin – Madison
Alexander Pak
Assistant Professor
Department of Chemical and Biological Engineering
Colorado School of Mines
LeeAnn Sager-Smith
Assistant Professor
Department of Physical Chemistry
Saint Mary’s College
Janani Sampath
Assistant Professor
Department of Chemical Engineering
University of Florida