add missing doi

paper/paper.bib

@@ -22,7 +22,8 @@ @article{ceriotti_i-pi-1.0_2014
 	urldate = {2024-01-10},
 	volume = {185},
 	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S001046551300372X},
-	url = {https://doi.org/10.1016/j.cpc.2013.10.027}
+	url = {https://doi.org/10.1016/j.cpc.2013.10.027},
+	doi = {10.1016/j.cpc.2013.10.027},
 	}
 
 @article{kapil_i-pi-2.0_2019,
@@ -38,7 +39,8 @@ @article{kapil_i-pi-2.0_2019
 	urldate = {2024-09-19},
 	volume = {236},
 	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S0010465518303436},
-	url = {https://doi.org/10.1016/j.cpc.2018.09.020}}
+	url = {https://doi.org/10.1016/j.cpc.2018.09.020}},
+	doi = {10.1016/j.cpc.2018.09.020},
 
 @article{litman_i-pi-3.0_2024,
 	author = {Litman, Yair and Kapil, Venkat and Feldman, Yotam M. Y. and Tisi, Davide and Begu{\v s}i{\'c}, Tomislav and Fidanyan, Karen and Fraux, Guillaume and Higer, Jacob and Kellner, Matthias and Li, Tao E. and P{\'o}s, Eszter S. and Stocco, Elia and Trenins, George and Hirshberg, Barak and Rossi, Mariana and Ceriotti, Michele},
@@ -54,7 +56,9 @@ @article{litman_i-pi-3.0_2024
 	urldate = {2024-09-18},
 	volume = {161},
 	bdsk-url-1 = {https://pubs.aip.org/jcp/article/161/6/062504/3308034/i-PI-3-0-A-flexible-and-efficient-framework-for},
-	url = {https://doi.org/10.1063/5.0215869}}
+	url = {https://doi.org/10.1063/5.0215869},
+	doi = {10.1063/5.0215869},
+	}
 
 @article{xu_m-sparc-1.0_2020,
 	author = {Xu, Qimen and Sharma, Abhiraj and Suryanarayana, Phanish},
@@ -68,7 +72,9 @@ @article{xu_m-sparc-1.0_2020
 	title = {M-{SPARC}: Matlab-Simulation Package for Ab-initio Real-space Calculations},
 	volume = 11,
 	year = 2020,
-	url = {http://dx.doi.org/10.1016/j.softx.2020.100423}}
+	url = {http://dx.doi.org/10.1016/j.softx.2020.100423},
+	doi = {10.1016/j.softx.2020.100423},
+	}
 
 @article{zhang_m-sparc-2.0_2023,
 	author = {Zhang, Boqin and Jing, Xin and Kumar, Shashikant and Suryanarayana, Phanish},
@@ -81,7 +87,9 @@ @article{zhang_m-sparc-2.0_2023
 	title = {Version 2.0.0 - M-SPARC: Matlab-Simulation Package for Ab-initio Real-space Calculations},
 	volume = 21,
 	year = 2023,
-	url = {http://dx.doi.org/10.1016/j.softx.2022.101295}}
+	url = {http://dx.doi.org/10.1016/j.softx.2022.101295},
+	doi = {10.1016/j.softx.2022.101295},
+	}
 
 @article{xu_sparc-1.0_2021,
 	author = {Xu, Qimen and Sharma, Abhiraj and Comer, Benjamin and Huang, Hua and Chow, Edmond and Medford, Andrew J. and Pask, John E. and Suryanarayana, Phanish},
@@ -94,7 +102,9 @@ @article{xu_sparc-1.0_2021
 	title = {SPARC: Simulation Package for Ab-initio Real-space Calculations},
 	volume = 15,
 	year = 2021,
-	url = {http://dx.doi.org/10.1016/j.softx.2021.100709}}
+	url = {http://dx.doi.org/10.1016/j.softx.2021.100709},
+	doi = {10.1016/j.softx.2021.100709},
+	}
 
 @article{zhang_sparc-2.0_2024,
 	author = {Zhang, Boqin and Jing, Xin and Xu, Qimen and Kumar, Shashikant and Sharma, Abhiraj and Erlandson, Lucas and Sahoo, Sushree Jagriti and Chow, Edmond and Medford, Andrew J. and Pask, John E. and Suryanarayana, Phanish},
@@ -107,7 +117,9 @@ @article{zhang_sparc-2.0_2024
 	title = {SPARC v2.0.0: Spin-orbit coupling, dispersion interactions, and advanced exchange--correlation functionals},
 	volume = 20,
 	year = 2024,
-	url = {http://dx.doi.org/10.1016/j.simpa.2024.100649}}
+	url = {http://dx.doi.org/10.1016/j.simpa.2024.100649},
+	doi = {10.1016/j.simpa.2024.100649},
+	}
 
 @article{gavini_exascale_2023,
   author       = {Gavini, Vikram and Baroni, Stefano and Blum, Volker
@@ -224,7 +236,9 @@ @article{bartok_soap_2013
 	urldate = {2024-01-10},
 	volume = {87},
 	bdsk-url-1 = {https://link.aps.org/doi/10.1103/PhysRevB.87.184115},
-	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.87.184115}}
+	bdsk-url-2 = {https://doi.org/10.1103/PhysRevB.87.184115},
+	doi = {10.1103/PhysRevB.87.184115},
+	}
 
 @article{deringer_gpr_2021,
 	author = {Deringer, Volker L. and Bart{\'o}k, Albert P. and Bernstein, Noam and Wilkins, David M. and Ceriotti, Michele and Cs{\'a}nyi, G{\'a}bor},
@@ -237,7 +251,9 @@ @article{deringer_gpr_2021
 	title = {Gaussian Process Regression for Materials and Molecules},
 	urldate = {2024-01-10},
 	volume = {121},
-	bdsk-url-1 = {https://doi.org/10.1021/acs.chemrev.1c00022}}
+	bdsk-url-1 = {https://doi.org/10.1021/acs.chemrev.1c00022},
+	doi = {10.1021/acs.chemrev.1c00022},
+	}
 
 @article{ong_pymatgen_2013,
 	author = {Ong, Shyue Ping and Richards, William Davidson and Jain, Anubhav and Hautier, Geoffroy and Kocher, Michael and Cholia, Shreyas and Gunter, Dan and Chevrier, Vincent L. and Persson, Kristin A. and Ceder, Gerbrand},
@@ -252,7 +268,9 @@ @article{ong_pymatgen_2013
 	urldate = {2024-01-10},
 	volume = {68},
 	bdsk-url-1 = {https://www.sciencedirect.com/science/article/pii/S0927025612006295},
-	bdsk-url-2 = {https://doi.org/10.1016/j.commatsci.2012.10.028}}
+	bdsk-url-2 = {https://doi.org/10.1016/j.commatsci.2012.10.028},
+	doi = {10.1016/j.commatsci.2012.10.028},
+	}
 
 @article{bonomi_plumed_2019,
  	title = {Promoting transparency and reproducibility in enhanced molecular simulations},