diff --git a/doc/paper.md b/doc/paper.md new file mode 100644 index 00000000..61047c0f --- /dev/null +++ b/doc/paper.md @@ -0,0 +1,27 @@ +--- +title: 'Simple DFT-D3: reimplementation of the D3 dispersion correction' +tags: + - Fortran + - Python + - computational chemistry + - density functional theory + - dispersion correction +authors: + - name: Sebastian Ehlert + orcid: 0000-0001-7809-771X + affiliation: 1 + corresponding: true +affiliations: + - name: Microsoft Research, AI for Science, The Netherlands + index: 1 +date: 8 June 2024 +bibliography: _static/references.bib +--- + +# Summary + +# Statement of need + +# Acknowledgements + +# References