First Author Publications

4. Barrett T.J., Moldovean-Cioroianu N.S. and Altintas Z. A digital twin for the in-silico screening, polymerization, and rebinding of Molecularly Imprinted Polymers. In preparation, 2026.
Package Link
Documentation Link
3. Barrett T.J. and Minus M.L. Nosé-Hoover Integrators at-a-glance: Barostat integration has a demonstrable effect on uniaxial tension results of solid materials. Journal of Chemical Theory and Computation, 2025.
Paper Link
Simulations Link
2. Barrett T.J. and Minus M.L. pothos: A Python package for polymer chain orientation and microstructure evolution monitoring. Journal of Chemical Theory and Computation, 2024.
Paper Link
Package Link
1. Barrett T.J. et al. Fine-scale surface complexity promotes temperature extremes but reduces the spatial extent of refugia on coastal rocks. Ecological Modelling, 501 (110969), 2025.
Paper Link

Awards

2023 : PACK International Research Fellowship

Google Scholar Page

Education

Ph.D. Northeastern University, 2024
M.S. Northeastern University, 2018
B.S. University of Rochester, 2016

Resume / CV

My Resume

My CV

Research

My Postdoc work largely revolved around the development of MIPkit, a digital twin toolkit for the development of Molecularly Imprinted Polymers (MIPs). The package uses RDkit to automatically detect and polymerize vinyl groups to simulate free radical polymerization from a list of ~100 functional monomers, providing us good coverage of the functional monomer chemical space.
Additionally, I developed a PLA/PCL/ZIF-8 electrospun composite scaffolding for biomedical implants.

My PhD work focused on developing a hierarchical multiscale model to represent semi-crystalline polymer composites properly. Our approach begins with a coarse-grained polymer simulation, where we can model both homo- and heterogeneous crystallization. These provide us with references for calibration with experimental results, with the latter being important for our understanding of the interphase region. From here, we developed pothos and mdvoro to convert the CG control volumes into finite element representative volumes, where they may be subjected to continuum mechanics.

Contact Me

barrett.t@northeastern.edu