.. _scientific-papers:

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Scientific Papers
=================

The **signac** framework has been cited over 50 times and has been used in a range of research fields with various types of computational workflows.
Here, we showcase a few examples of scientific papers that have used **signac**.
To find additional papers using **signac**, please refer to citations of the articles mentioned in :ref:`acknowledge` or this list of `citing works on Google Scholar <https://scholar.google.com/scholar?cites=14270565839129827405,11696507121891896813>`__.

We encourage users to add publications citing **signac** to this list via a pull request.
To add a paper, put citation information in `signac.bib <https://github.com/glotzerlab/signac-docs/edit/main/docs/source/signac.bib>`__ and follow the formatting of this page.
Papers are sorted by publication date, from newest to oldest.

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    Janek2025

Tests of the proposed universal integration scheme for molecular dynamics. Multiple systems, integrators and integration steps. Simulations performed using simul++.

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    Cersonsky2021

Identifies photonic band gaps over a space of 151,593 crystal structures. Simulations performed using MIT Photonic Bands (MPB).

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    Musil2021

Benchmarking atom-density representations for use in machine learning. Data generated using librascal.

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    Harper2020

Electromagnetic simulations of silicon cylinders on a SiO\ :sub:`2` substrate are performed using RCWA and managed via **signac**. The resulting data is used in a machine learning model using TensorFlow to predict optical properties.

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    Howard2019

Simulating fluid flow in polymer solutions as a function of chain length :math:`M`, polymer concentration :math:`\phi_p`, body force :math:`f_x`, and droplet viscosity :math:`\mu_d`. Simulations performed using HOOMD-blue.

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    Thompson2019

Molecular dynamics simulations of room-temperature ionic liquids spanning 396 state points: 18 compositions by mass fraction and 22 unique solvents from five chemical families (nitriles, alcohols, halocarbons, carbonyls, and glymes). Simulations performed using GROMACS.

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    Adorf2018

Uses relative entropy minimization in Fourier space to identify isotropic particle interaction potentials that result in self-assembly of various crystal structures. Simulations performed using HOOMD-blue.

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    Thomas2018

4,480 molecular dynamics simulations of epoxy curing, each containing millions of particles. Simulations performed using HOOMD-blue.

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    Govoni2018

Validation study using five different codes to compute the vertical ionization potential and electron affinities of 100 molecules with the :math:`G_0W_0` approximation. Simulations performed using BerkeleyGW, FHI-aims, TURBOMOLE, VASP, and WEST.