From 085adc4b9b4ea361c6cae697d8000dd1a9de4c59 Mon Sep 17 00:00:00 2001 From: Alex Hoffman Date: Wed, 23 Oct 2024 15:12:20 -0400 Subject: [PATCH] update sisso and hypotheticals papers --- _publications/2024-03-01-hypotheticals.md | 9 --------- _publications/2024-10-03-hypotheticals.md | 12 ++++++++++++ _publications/2024-10-07-sisso.md | 6 ++++-- 3 files changed, 16 insertions(+), 11 deletions(-) delete mode 100644 _publications/2024-03-01-hypotheticals.md create mode 100644 _publications/2024-10-03-hypotheticals.md diff --git a/_publications/2024-03-01-hypotheticals.md b/_publications/2024-03-01-hypotheticals.md deleted file mode 100644 index 68bdc042ce9e2..0000000000000 --- a/_publications/2024-03-01-hypotheticals.md +++ /dev/null @@ -1,9 +0,0 @@ ---- -title: "Automatically generating hypothetical molecules to identify new organic structure-directing agents for zeolite synthesis" -collection: publications -permalink: /publication/2024-03-01-hypotheticals -date: 2024-03-01 -venue: 'In preparation' -citation: 'Xie, M.; Paris, C.; Hoffman, A. J.; Schwalbe-Koda, D.; Santiago-Reyes, O.; Moliner, M.; Gómez-Bombarelli, R. Automatically Generating Hypothetical Molecules to Identify New Organic Structure-Directing Agents for Zeolite Synthesis.' ---- -Recommended citation: Xie, M.; Paris, C.; Hoffman, A. J.; Schwalbe-Koda, D.; Santiago-Reyes, O.; Moliner, M.; Gómez-Bombarelli, R. Automatically Generating Hypothetical Molecules to Identify New Organic Structure-Directing Agents for Zeolite Synthesis. \ No newline at end of file diff --git a/_publications/2024-10-03-hypotheticals.md b/_publications/2024-10-03-hypotheticals.md new file mode 100644 index 0000000000000..685f357345099 --- /dev/null +++ b/_publications/2024-10-03-hypotheticals.md @@ -0,0 +1,12 @@ +--- +title: "An exhaustive mapping of zeolite-template chemical space" +collection: publications +permalink: /publication/2024-03-01-hypotheticals +date: 2024-10-03 +venue: 'ChemRXiv' +paperurl: 'https://chemrxiv.org/engage/chemrxiv/article-details/66f8658812ff75c3a1cb235d' +citation: 'Xie, M.; Schwalbe-Koda, D.; Semanate-Esquive, Y. M.; Bello-Jurado, E.; Hoffman, A. J.; Santiago-Reyes, O.; Paris, C; Moliner, M.; Gómez-Bombarelli, R. An exhaustive mapping of zeolite-template chemical space. ChemRXiv 2024. DOI: 10.26434/chemrxiv-2024-d74sw.' +--- +[Download paper here](https://chemrxiv.org/engage/chemrxiv/article-details/66f8658812ff75c3a1cb235d) + +Recommended citation: Xie, M.; Schwalbe-Koda, D.; Semanate-Esquive, Y. M.; Bello-Jurado, E.; Hoffman, A. J.; Santiago-Reyes, O.; Paris, C; Moliner, M.; Gómez-Bombarelli, R. An exhaustive mapping of zeolite-template chemical space. ChemRXiv 2024. DOI: 10.26434/chemrxiv-2024-d74sw. \ No newline at end of file diff --git a/_publications/2024-10-07-sisso.md b/_publications/2024-10-07-sisso.md index 1180831d81fd5..a39526ea623cb 100644 --- a/_publications/2024-10-07-sisso.md +++ b/_publications/2024-10-07-sisso.md @@ -5,6 +5,8 @@ permalink: /publication/2024-10-07-sisso date: 2024-10-07 venue: 'ChemRXiv' paperurl: 'https://chemrxiv.org/engage/chemrxiv/article-details/66fae4c251558a15ef9d20db' -citation: 'Hoffman, A. J.; Xie, M.; Gómez-Bombarelli, R. Learning descriptors to predict organic structure-directing agent applicability in zeolite synthesis. ChemRXiv 2022. DOI: 10.26434/chemrxiv-2024-mbg26.' +citation: 'Hoffman, A. J.; Xie, M.; Gómez-Bombarelli, R. Learning descriptors to predict organic structure-directing agent applicability in zeolite synthesis. ChemRXiv 2024. DOI: 10.26434/chemrxiv-2024-mbg26.' --- -Recommended citation: Hoffman, A. J.; Xie, M.; Gómez-Bombarelli, R. Learning descriptors to predict organic structure-directing agent applicability in zeolite synthesis. ChemRXiv 2022. DOI: 10.26434/chemrxiv-2024-mbg26. \ No newline at end of file +[Download paper here](https://chemrxiv.org/engage/chemrxiv/article-details/66fae4c251558a15ef9d20db) + +Recommended citation: Hoffman, A. J.; Xie, M.; Gómez-Bombarelli, R. Learning descriptors to predict organic structure-directing agent applicability in zeolite synthesis. ChemRXiv 2024. DOI: 10.26434/chemrxiv-2024-mbg26. \ No newline at end of file