Update JOSS paper

doc/_static/references.bib

@@ -225,4 +225,78 @@ @article{golokesh2022
 publisher  = {The Royal Society of Chemistry},
 doi  = {10.1039/D2CP03938A},
 url  = {http://dx.doi.org/10.1039/D2CP03938A},
+}
+
+@article{grimme2016,
+  title={Dispersion-corrected mean-field electronic structure methods},
+  author={Grimme, Stefan and Hansen, Andreas and Brandenburg, Jan Gerit and Bannwarth, Christoph},
+  journal={Chem. Rev.},
+  volume={116},
+  number={9},
+  pages={5105--5154},
+  year={2016},
+  publisher={ACS Publications},
+  doi={10.1021/acs.chemrev.5b00533},
+  url={https://doi.org/10.1021/acs.chemrev.5b00533},
+}
+
+@article{kohn1965,
+  title={Self-consistent equations including exchange and correlation effects},
+  author={Kohn, Walter and Sham, Lu Jeu},
+  journal={Phys. Rev.},
+  volume={140},
+  number={4A},
+  pages={A1133},
+  year={1965},
+  publisher={APS},
+  doi={10.1103/PhysRev.140.A1133},
+  url={https://doi.org/10.1103/PhysRev.140.A1133},
+}
+
+@article{caldeweyher2019,
+  title={A generally applicable atomic-charge dependent London dispersion correction},
+  author={Caldeweyher, Eike and Ehlert, Sebastian and Hansen, Andreas and Neugebauer, Hagen and Spicher, Sebastian and Bannwarth, Christoph and Grimme, Stefan},
+  journal={J. Chem. Phys.},
+  volume={150},
+  number={15},
+  year={2019},
+  publisher={AIP Publishing},
+  doi={10.1063/1.5090222},
+  url={https://doi.org/10.1063/1.5090222},
+}
+
+@article{kedward2022,
+  title={The state of Fortran},
+  author={Kedward, Laurence J and Aradi, Balint and {\v{C}}ert{\'\i}k, Ond{\v{r}}ej and Curcic, Milan and Ehlert, Sebastian and Engel, Philipp and Goswami, Rohit and Hirsch, Michael and Lozada-Blanco, Asdrubal and Magnin, Vincent and Markus, Arjen and Pagone, Emanuele and Pribec, Ivan and Richardson, Brad and Snyder, Harris and Urban, John and Vandenplas, J{\'e}r{\'e}mie},
+  journal={Comput. Sci. Eng.},
+  volume={24},
+  number={2},
+  pages={63--72},
+  year={2022},
+  publisher={IEEE},
+  doi={10.1109/MCSE.2022.3159862},
+  url={https://doi.org/10.1109/MCSE.2022.3159862},
+}
+
+@article{larsen2017,
+  title={The atomic simulation environment—a Python library for working with atoms},
+  author={Larsen, Ask Hjorth and Mortensen, Jens J{\o}rgen and Blomqvist, Jakob and Castelli, Ivano E and Christensen, Rune and Du{\l}ak, Marcin and Friis, Jesper and Groves, Michael N and Hammer, Bj{\o}rk and Hargus, Cory and Hermes, Eric D and Jennings, Paul C and Jensen, Peter Bjerre and Kermode, James and Kitchin, John R and Kolsbjerg, Esben Leonhard and Kubal, Joseph and Kaasbjerg, Kristen and Lysgaard, Steen and Maronsson, J{\'o}n Bergmann and Maxson, Tristan and Olsen, Thomas and Pastewka, Lars and Peterson, Andrew and Rostgaard, Carsten and Schi{\o}tz, Jakob and Sch{\"u}tt, Ole and Strange, Mikkel and Thygesen, Kristian S and Vegge, Tejs and Vilhelmsen, Lasse and Walter, Michael and Zeng, Zhenhua and Jacobsen, Karsten W},
+  journal={J. Phys.: Condens. Matter},
+  volume={29},
+  number={27},
+  pages={273002},
+  year={2017},
+  publisher={IOP Publishing},
+  doi={10.1088/1361-648X/aa680e},
+  url={https://doi.org/10.1088/1361-648X/aa680e},
+}
+
+@article{wittmann2024,
+  title={Extension of the D3 and D4 London Dispersion Corrections to the full Actinides Series},
+  author={Wittmann, Lukas and Gordiy, Igor and Friede, Marvin and Helmich-Paris, Benjamin and Grimme, Stefan and Hansen, Andreas and Bursch, Markus},
+  journal={Phys. Chem. Chem. Phys.},
+  year={2024},
+  publisher={Royal Society of Chemistry},
+  doi={10.1039/D4CP01514B},
+  url={https://doi.org/10.1039/D4CP01514B},
 }

doc/paper.md

@@ -1,5 +1,5 @@
 ---
-title: 'Simple DFT-D3: reimplementation of the D3 dispersion correction'
+title: 'Simple DFT-D3: Library first implementation of the D3 dispersion correction'
 tags:
   - Fortran
   - Python
@@ -20,8 +20,29 @@ bibliography: _static/references.bib
 
 # Summary
 
-# Statement of need
+The simulation of chemical reactions or processes provides a fundamental approach to understanding chemistry.
+The application of Kohn-Sham density functional theory (KSDFT) [@kohn1965] has become an indispensable tool for computational modeling.
+However, semilocal KS-DFT often fails to accurately describe long-range correlation effects, such as dispersion interactions, in many exchange-correlation functionals [@grimme2016].
+Additive dispersion corrections, like the D3 [@grimme2010] or D4 [@caldeweyher2019] methods, effectively account for these effects.
+
+# Statement of Need
+
+The D3 method is one of the most widely used dispersion corrections, however the original implementation [@grimme2010] has been forked and modified many times to include specific adaptations needed for integration as a library in different electronic structure software packages.
+Here, we present a reimplementation of the D3 method, focusing on providing a simple, library-first version with APIs defined in Fortran, C, and Python, including the latest parameters for many D3 method variants.
+
+The ``simple-dftd3`` library implements several variants of the D3 method, including the original zero damping D3(0) [@grimme2010], rational damping D3(BJ) [@grimme2011], modified zero damping D3M(0) [@smith2016], and optimized power damping D3(op) [@witte2017].
+The main library is written in modern Fortran [@kedward2022], with additional APIs for C via Fortran-C interoperable functions and for Python via the CFFI library.
+A command line interface is also available for standalone usage.
+
+# Usage
+
+The ``simple-dftd3`` library has been successfully adopted by several electronic structure software packages, such as DFTB+ (since version 21.2) [@hourahine2020], Psi4 (since version 1.9.0) [@smith2020], and Siesta (since version 5.0.0) [@garcia2020].
+Additionally, the Python API provides interfaces for usage in ASE [@larsen2017], PySCF [@sun2020], and QCEngine [@smith2021].
+Given the accessibility of the code base, new method improvements, like the recent extension of the D3 method to actinide elements [@wittmann2024], are easily integrated.
+With its simplicity and availability, the library is a valuable tool for the community to include dispersion corrections in their electronic structure calculations.
 
 # Acknowledgements
 
+S.E. acknowledges contributions from Robert Cohn, Marvin Friede, Kjell Jorner, Eisuke Kawashima, Qiming Sun, Thijs Vogels, Shirong Wang, and Lukas Wittmann to the project.
+
 # References