From 6ad9c5cfa23a6635430212f25ed1abf01a33d9c5 Mon Sep 17 00:00:00 2001 From: Zhao Li <43864970+Zhaoli2042@users.noreply.github.com> Date: Fri, 13 Dec 2024 13:18:29 -0500 Subject: [PATCH] Update README.md --- README.md | 7 ++++--- 1 file changed, 4 insertions(+), 3 deletions(-) diff --git a/README.md b/README.md index f7b1b5f..5adf502 100644 --- a/README.md +++ b/README.md @@ -36,9 +36,10 @@ A detailed installation note for gRASPA on CentOS/Ubuntu 24.04 is documented in * also available in [Chinese](https://zhaoli2042.github.io/gRASPA-mkdoc/Chinese) * a doxygen documentation is also available @ https://zhaoli2042.github.io/gRASPA ## Reference -* gRASPA paper is now [online](https://pubs.acs.org/doi/10.1021/acs.jctc.4c01058). Please kindly cite it if you find it useful. - * Li, Shi, Dubbeldam, Dewing, Knight, Vázquez-Mayagoitia, Snurr, "Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials", _J. Chem. Theory Comput_. 2024, 20, 23, 10649–10666 - * DOI: 10.1021/acs.jctc.4c01058 +* gRASPA paper is now published. Please kindly cite it if you find it useful. + * Li, Shi, Dubbeldam, Dewing, Knight, Vázquez-Mayagoitia, Snurr, + "Efficient Implementation of Monte Carlo Algorithms on Graphical Processing Units for Simulation of Adsorption in Porous Materials", _J. Chem. Theory Comput_. 2024, 20, 23, 10649–10666 + * DOI: [10.1021/acs.jctc.4c01058](https://pubs.acs.org/doi/10.1021/acs.jctc.4c01058) * Also, please give our repository a :star: if our code helps! ## Table of Code Capabilities | Functionalities | gRASPA | gRASPA-fast | gRASPA-HTC |