diff --git a/_pages/publications.md b/_pages/publications.md index 03750d9499889..4d216156ab2db 100644 --- a/_pages/publications.md +++ b/_pages/publications.md @@ -23,10 +23,10 @@ author_profile: true - Enabling Inverse Design of Nanoparticle Photophysics via Deep Learning on Heterogeneous Graphs. + Calculated Properties of Molecules at Diverse Charge and Spin States for Next-Generation Chemical Machine Learning.
- Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, Benjamin Sanchez-Lengeling, Xiaojing Xia, Daniel Barter, Emory M. Chan, and Samuel M. Blau. + Evan Walter Clark Spotte-Smith, Kareem Hegazy, Matthew Avaylon, Santiago Vargas, Orion Cohen, Michael W. Mahoney, Talita Perciano, Kristin A. Persson, and Samuel M. Blau.
In preparation.
@@ -43,12 +43,12 @@ author_profile: true - Calculated Properties of Molecules at Diverse Charge and Spin States for Next-Generation Chemical Machine Learning. + Enabling Inverse Design of Nanoparticle Photophysics via Deep Learning on Heterogeneous Graphs.
- Evan Walter Clark Spotte-Smith, Kareem Hegazy, Matthew Avaylon, Santiago Vargas, Orion Cohen, Michael W. Mahoney, Talita Perciano, Kristin A. Persson, and Samuel M. Blau. + Eric Sivonxay, Lucas Attia, Evan Walter Clark Spotte-Smith, Benjamin Sanchez-Lengeling, Xiaojing Xia, Daniel Barter, Emory M. Chan, and Samuel M. Blau.
- In preparation. + In review.
diff --git a/files/bib/publications.bib b/files/bib/publications.bib index 20cb41dbc69a1..775ae578414de 100644 --- a/files/bib/publications.bib +++ b/files/bib/publications.bib @@ -1,10 +1,3 @@ -@article{sivonxay202401, - title={Enabling Inverse Design of Nanoparticle Photophysics via Deep Learning on Heterogeneous Graphs}, - author={Sivonxay, Eric and Attia, Lucas and Spotte-Smith, Evan Walter Clark and Sanchez-Lengeling, Benjamin and Xia, Xiaojing and Barter, Daniel and Chan, Emory M. and Blau, Samuel M.}, - journal={In preparation}, - year={2024}, -} - @article{spottesmith202401, title={Calculated Properties of Molecules at Diverse Charge and Spin States for Next-Generation Chemical Machine Learning}, author={Spotte-Smith, Evan Walter Clark and Hegazy, Kareem and Avaylon, Matthew and Vargas, Santiago and Cohen, Orion and Mahoney, Michael W. and Perciano, Talita and Persson, Kristin A. and Blau, Samuel M.}, @@ -12,6 +5,14 @@ @article{spottesmith202401 year={2024}, } +@article{sivonxay202401, + title={Enabling Inverse Design of Nanoparticle Photophysics via Deep Learning on Heterogeneous Graphs}, + author={Sivonxay, Eric and Attia, Lucas and Spotte-Smith, Evan Walter Clark and Sanchez-Lengeling, Benjamin and Xia, Xiaojing and Barter, Daniel and Chan, Emory M. and Blau, Samuel M.}, + journal={In review}, + year={2024}, + url={/files/papers/sivonxay_inverse_design_2024.pdf} +} + @article{macknight202401, title={Opportunities and Challenges For Large Language Models In the Chemical Sciences}, author={MacKnight, Robert and Boiko, Daniil A. and Spotte-Smith, Evan Walter Clark and Regio, Jose Emilio and Gallegos, Liliana C. and Neukomm, Théo A. and Gomes, Gabriel dos Passos}, diff --git a/files/papers/sivonxay_inverse_design_2024.pdf b/files/papers/sivonxay_inverse_design_2024.pdf new file mode 100644 index 0000000000000..fda4e721971f8 Binary files /dev/null and b/files/papers/sivonxay_inverse_design_2024.pdf differ