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Table representation of search results timeline featuring number of search results per year.

Year Number of Results
2004 2
2005 2
2006 1
2007 2
2008 5
2009 3
2010 1
2011 3
2012 2
2013 1
2014 3
2015 4
2016 2
2017 3
2018 2
2019 1
2020 3
2021 4
2022 1
2023 6
2024 0

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Page 1
A Perspective on Sustainable Computational Chemistry Software Development and Integration.
Di Felice R, Mayes ML, Richard RM, Williams-Young DB, Chan GK, de Jong WA, Govind N, Head-Gordon M, Hermes MR, Kowalski K, Li X, Lischka H, Mueller KT, Mutlu E, Niklasson AMN, Pederson MR, Peng B, Shepard R, Valeev EF, van Schilfgaarde M, Vlaisavljevich B, Windus TL, Xantheas SS, Zhang X, Zimmerman PM. Di Felice R, et al. Among authors: niklasson amn. J Chem Theory Comput. 2023 Oct 24;19(20):7056-7076. doi: 10.1021/acs.jctc.3c00419. Epub 2023 Sep 28. J Chem Theory Comput. 2023. PMID: 37769271 Free PMC article.
Semi-Empirical Shadow Molecular Dynamics: A PyTorch Implementation.
Kulichenko M, Barros K, Lubbers N, Fedik N, Zhou G, Tretiak S, Nebgen B, Niklasson AMN. Kulichenko M, et al. Among authors: niklasson amn. J Chem Theory Comput. 2023 Jun 13;19(11):3209-3222. doi: 10.1021/acs.jctc.3c00234. Epub 2023 May 10. J Chem Theory Comput. 2023. PMID: 37163680
Quantum Perturbation Theory Using Tensor Cores and a Deep Neural Network.
Finkelstein J, Rubensson EH, Mniszewski SM, Negre CFA, Niklasson AMN. Finkelstein J, et al. Among authors: niklasson amn. J Chem Theory Comput. 2022 Jul 12;18(7):4255-4268. doi: 10.1021/acs.jctc.2c00274. Epub 2022 Jun 7. J Chem Theory Comput. 2022. PMID: 35670603
Quantum-Based Molecular Dynamics Simulations Using Tensor Cores.
Finkelstein J, Smith JS, Mniszewski SM, Barros K, Negre CFA, Rubensson EH, Niklasson AMN. Finkelstein J, et al. Among authors: niklasson amn. J Chem Theory Comput. 2021 Oct 12;17(10):6180-6192. doi: 10.1021/acs.jctc.1c00726. Epub 2021 Oct 1. J Chem Theory Comput. 2021. PMID: 34595916
The Middle Science: Traversing Scale In Complex Many-Body Systems.
Clark AE, Adams H, Hernandez R, Krylov AI, Niklasson AMN, Sarupria S, Wang Y, Wild SM, Yang Q. Clark AE, et al. Among authors: niklasson amn. ACS Cent Sci. 2021 Aug 25;7(8):1271-1287. doi: 10.1021/acscentsci.1c00685. Epub 2021 Jul 28. ACS Cent Sci. 2021. PMID: 34471670 Free PMC article.
50 results