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Alec Glisman
Senior AI/ML Scientist at Merck applying generative AI and physics-based simulation to drug discovery. PhD Chemical Engineering, Caltech 2024.
Experience
Professional experience of Alec Glisman: Senior AI/ML Scientist at Merck, PhD research at Caltech, and industry internships at Nissan, Bosch, and Lawrence Berkeley National Laboratory.
Projects
Open-source software by Alec Glisman for molecular property prediction, generative diffusion models, computational fluid dynamics, and molecular dynamics analysis.
Publications
Peer-reviewed publications by Alec Glisman in polymer physics, molecular simulation, fluid mechanics, and membrane biophysics.
Research
Research by Alec Glisman combining physics-based simulation, machine learning, and theoretical mechanics. Generative AI for drug discovery, polyelectrolyte complexation, microhydrodynamics, and lipid membrane mechanics.
Skills
Technical skills of Alec Glisman spanning machine learning, drug discovery, computational chemistry, programming, and DevOps infrastructure.
Talks and Presentations
Conference talks and presentations by Alec Glisman on polyelectrolyte complexation, molecular simulation, and soft matter physics.
Teaching
Teaching experience by Alec Glisman as graduate teaching assistant for ChE 151a/b at Caltech.
Posts
portfolio
publications
Geometry and dynamics of lipid membranes: The Scriven-Love number
Published in Physical Review E, 2020
The in-plane viscosity and out-of-plane elasticity of lipid membranes leads to a new dimensionless number found to be critical to relaxation dynamics
Recommended citation: Amaresh Sahu, Alec Glisman, Joël Tchoufag and Kranthi K. Mandadapu. (2020). "Geometry and dynamics of lipid membranes: The Scriven-Love number." Phys. Rev. E. 101(05240). https://journals.aps.org/pre/abstract/10.1103/PhysRevE.101.052401
Swimming in potential flow
Published in JFM Rapids, 2022
A deformable body self-propels in potential flow through time-varying configuration changes that alter added mass. Derives the analytic framework showing swimming mechanics are identical between Stokes and potential flow regimes.
Recommended citation: Alec Glisman and John F. Brady (2022). "Swimming in potential flow." JFM. 952(R5). https://doi.org/10.1017/jfm.2022.946
Multi-valent Ion Mediated Polyelectrolyte Association and Structure
Published in Macromolecules, 2024
Multiscale simulation reveals how divalent Ca²⁺ ions drive polyelectrolyte chain association through bridging. Produces concentration-dependent phase diagram connecting microscopic ion binding to macroscopic precipitation.
Recommended citation: Alec Glisman, Sriteja Mantha, Decai Yu, Eric Wasserman, Scott Backer, and Zhen-Gang Wang. (2024). "Multi-valent Ion Mediated Polyelectrolyte Association and Structure." Macromolecules. 57(5), 1941–1949. https://doi.org/10.1021/acs.macromol.3c02437
Adsorption isotherm and mechanism of Ca2+ binding to polyelectrolyte
Published in Langmuir, 2024
Quantifies Ca²⁺ adsorption isotherms on poly(acrylic acid) using enhanced-sampling MD. Reveals binding modes and thermodynamics governing polyelectrolyte-ion complexation.
Recommended citation: Alec Glisman, Sriteja Mantha, Decai Yu, Eric Wasserman, Scott Backer, and Zhen-Gang Wang. (2024). "Adsorption isotherm and mechanism of Ca2+ binding to polyelectrolyte." Langmuir. 40(12), 6212–6219. https://doi.org/10.1021/acs.langmuir.3c03640
Binding Modes and Water-Mediation of Polyelectrolyte Adsorption to a Neutral CaCO3 Surface
Published in Langmuir, 2025
Atomistic simulation of poly(acrylic acid) adsorption on calcite surfaces. Characterizes direct vs. water-mediated binding modes and their dependence on chain length and Ca²⁺ concentration.
Recommended citation: Alec Glisman, Sriteja Mantha, Decai Yu, Eric Wasserman, Scott Backer, Larisa Reyes, and Zhen-Gang Wang. (2025). "Binding Modes and Water-Mediation of Polyelectrolyte Adsorption to a Neutral CaCO3 Surface." Langmuir. 40(49), 25931–25939. https://doi.org/10.1021/acs.langmuir.4c03301
talks
Divalent cation-mediated polyanion attraction in an aqueous solution
Published:
We clarify the mechanism through which multi-valent ions result in polyelectrolyte precipitation and present design principles for polyelectrolytes with higher calcium tolerance values.
Recommended citation: Alec Glisman, Sriteja Mantha, Zhen-Gang Wang, Decai Yu, Thomas Kalantar, Christopher Tucker, Eric Wasserman, Scott Backer, Larisa Reyes, and Dipti Singh. (2023). "Divalent cation-mediated polyanion attraction in an aqueous solution." APS March Meeting (2023) https://meetings.aps.org/Meeting/MAR23/Session/B15.1
Structure of polyelectrolyte and multi-valent ion complexes
Published:
We present our findings on the polyelectrolyte-calcium binding energetics, comment on the preferential calcium binding sites on a polyelectrolyte backbone, and present a technique to calculate the calcium adsorption isotherm.
Recommended citation: Sriteja Mantha, Alec Glisman, Zhen-Gang Wang, Decai Yu, Thomas Kalantar, Christopher Tucker, Eric Wasserman, Scott Backer, Larisa Reyes, and Dipti Singh. (2023). "Structure of polyelectrolyte and multi-valent ion complexes." APS March Meeting (2023) https://meetings.aps.org/Meeting/MAR23/Session/B15.2
teaching
Teaching Assistant for ChE 151a
Graduate course, California Institute of Technology, Chemical Engineering, 2021
Term I focused on the application of perturbation theory to the analysis of thermal and concentration boundary layers. Held weekly office hours and tutorials, and conducted ad hoc meetings with individual students to reinforce problem-solving skills and build physical intuition.
Teaching Assistant for ChE 151b
Graduate course, California Institute of Technology, Chemical Engineering, 2021
Term II focused on advanced fluid mechanics topics, such as applications of Stokes flow to Brownian motion, electrophoresis, and boundary layers in two-dimensional domains. Held weekly office hours and tutorials, and conducted ad hoc meetings with individual students to support their development in analytical problem solving.