| Title | Unwrapping NPT Simulations to Calculate Diffusion Coefficients | 
| Publication Type | Journal Article | 
| Year of Publication | 2023 | 
| Authors | Bullerjahn JTómas, von Bülow S, Heidari M, Hénin J, Hummer G | 
| Journal | Journal of Chemical Theory and Computation | 
| Volume | 19 | 
| Pagination | 3406–3417 | 
| URL | https://doi.org/10.1021/acs.jctc.3c00308 | 
| DOI | 10.1021/acs.jctc.3c00308 | 
| Citation Key | 2023|2165 | 
