The Cersonsky Lab at UW-Madison
The Cersonsky Lab is a research group based at the University of Wisconsin - Madison, Department of Chemical and Biological Engineering
Rose K. Cersonsky (CV | Webpage)Current Group Members
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Last Updated: 6/18/2025
Publication List
2025
- AniSOAP: Machine Learning Representations for Coarse-grained and Non-spherical Systems – Arthur Y. Lin, Lucas Ortengren, Seonwoo Hwang, Yong-Cheol Cho, Jigyasa Nigam, RKC, Journal of Open Source Software Link.
- Interpretable Visualizations of Data Spaces for Classification Problems – Christian Jorgensen, Arthur Y. Lin, RKC, Preprint Link.
- Machine Learning and Statistical Mechanics: Shared Synergies for Next Generation of Chemical Theory and Computation – RKC, Bingqing Cheng, Marco De Vivo, Pratyush Tiwary, Journal of Chemical Theory and Computation, acs.jctc.5c00650 Link.
2024
- The rule of four: anomalous distributions in the stoichiometries of inorganic compounds – Elena Gazzarrini, RKC, Marnik Bercx, Carl S. Adorf, Nicola Marzari, npj Computational Materials 10 (1), 73 Link.
- Expanding density-correlation machine learning representations for anisotropic coarse-grained particles – Arthur Lin, Kevin K. Huguenin-Dumittan, Yong-Cheol Cho, Jigyasa Nigam, RKC, The Journal of Chemical Physics 161 (7), 074112 Link.
- Machine Learning for Generating and Analyzing Thermophysical Data: Where We Are and Where We’re Going – RKC, Bingqing Cheng, David Kofke, Erich A. Müller, Journal of Chemical & Engineering Data 69 (6), 2041-2043 Link.
2023
- Open Dataset - Lattice energies and relaxed geometries for 2’707 organic molecular crystals and their 3’242 molecular components. – RKC, Maria Pakhnova, Edgar Engel, Michele Ceriotti Link.
- 35+1 Challenges In Materials Science Being Tackled by PIs Under 35(ish) in 2023 – Monica Allen, Kwabena Bediako, William Bowman, Michelle Calabrese, Lucas Caretta, RKC, Wen Chen, Santiago Correa, Rachel Davidson, Leora Dresselhaus-Marais, Carissa N. Eisler, Ariel Furst, Ting Ge, Andrew Hook, Yi-Ting Hsu, Chunjing Jia, Jianfeng Lu, Alessandro Lunghi, Marco Messina, Ivan A. Moreno-Hernandez, Eva Nichols, Reshma Rao, Martin Seifrid, Katherine Emily Shulenberger, Alexandr Simonov, Xiao Su, Dayne Swearer, Evelyn Tang, Mercedes Taylor, Helen Tran, Gustavo Trindade, Ryan Truby, Hendrik Utzat, Ying Yang, Darryl W. Yee, Shenlong Zhao, Steve Cranford, Matter 6 (8), 2480-2487 Link.
- Placental lesions associated with stillbirth by gestational age, according to feature importance: Results from the stillbirth collaborative research network – , RKC, George R. Saade, Robert M. Silver, Uma M. Reddy, Robert L. Goldenberg, Donald J. Dudley, Halit Pinar, Placenta 137, 59-64 Link.
- A data-driven interpretation of the stability of organic molecular crystals – RKC, Maria Pakhnova, Edgar A. Engel, Michele Ceriotti, Chemical Science 14 (5), 1272-1285 Link.
- Not yet defect-free: the current landscape for women in computational materials research – Livia B. Pártay, Erin G. Teich, RKC, npj Computational Materials 9 (1), 98 Link.
- scikit-matter : A Suite of Generalisable Machine Learning Methods Born out of Chemistry and Materials Science – Alexander Goscinski, Victor Paul Principe, Guillaume Fraux, Sergei Kliavinek, Benjamin A. Helfrecht, Philip Loche, Michele Ceriotti, RKC, Open Research Europe 3, 81 Link.
- Placental Lesions Associated With Stillbirth by Gestational Age, as Related to Cause of Death: Follow-Up Results From the Stillbirth Collaborative Research Network – Tess E. K. Cersonsky, RKC, Robert M. Silver, Donald J. Dudley, Halit Pinar, Pediatric and Developmental Pathology, 10935266231197349 Link.
- Unsupervised learning – RKC, Sandip De, 153-181 Link.
2022
- A route to hierarchical assembly of colloidal diamond – Yuan Zhou, RKC, Sharon C. Glotzer, Soft Matter 18 (2), 304-311 Link.
2021
- Improving sample and feature selection with principal covariates regression – RKC, Benjamin A Helfrecht, Edgar A Engel, Sergei Kliavinek, Michele Ceriotti, Machine Learning: Science and Technology 2 (3), 035038 Link.
- Open Dataset - The Diversity of Three-Dimensional Photonic Crystals – RKC, J. A. Antonaglia, B. D. Dice, S.C. Glotzer Link.
- The diversity of three-dimensional photonic crystals – RKC, James Antonaglia, Bradley D. Dice, Sharon C. Glotzer, Nature Communications 12 (1), 2543 Link.
2020
- Open Dataset - Structure-property maps with kernel principal covariates regression – Benjamin A. Helfrecht, RKC, Guillaume Fraux, Michele Ceriotti Link.
- Structure-property maps with kernel principal covariates regression – Benjamin A Helfrecht, RKC, Guillaume Fraux, Michele Ceriotti, Machine Learning: Science and Technology 1 (4), 045021 Link.
- Chemiscope: interactive structure-property explorer for materials and molecules – Guillaume Fraux, RKC, Michele Ceriotti, Journal of Open Source Software 5 (51), 2117 Link.
- Paper: Bringing Science Education and Research together to REACT – Alyssa Travitz, Ayse Muniz, Joanne Beckwith, RKC, 35030 Link.
2019
- Designing Nanoparticles for Self-Assembly of Novel Materials – RKC Link.
2018
- Pressure-tunable photonic band gaps in an entropic colloidal crystal – RKC, Julia Dshemuchadse, James Antonaglia, Greg Van Anders, Sharon C. Glotzer, Physical Review Materials 2 (12), 125201 Link.
- Relevance of packing to colloidal self-assembly – RKC, Greg Van Anders, Paul M. Dodd, Sharon C. Glotzer, Proceedings of the National Academy of Sciences 115 (7), 1439-1444 Link.
2017
- Augmenting Primary and Secondary Education with Polymer Science and Engineering – RKC, Leanna L. Foster, Taeyong Ahn, Ryan J. Hall, Harry L. Van Der Laan, Timothy F. Scott, Journal of Chemical Education 94 (11), 1639-1646 Link.