Reiser P - Search Results

1

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins.

Riedmiller K, Reiser P, Bobkova E, Maltsev K, Gryn'ova G, Friederich P, Gräter F. Riedmiller K, et al. Among authors: reiser p. Chem Sci. 2024 Jan 16;15(7):2518-2527. doi: 10.1039/d3sc03922f. eCollection 2024 Feb 14. Chem Sci. 2024. PMID: 38362411 Free PMC article.

2

Electric-Field-Controlled Dopant Distribution in Organic Semiconductors.

Müller L, Rhim SY, Sivanesan V, Wang D, Hietzschold S, Reiser P, Mankel E, Beck S, Barlow S, Marder SR, Pucci A, Kowalsky W, Lovrincic R. Müller L, et al. Among authors: reiser p. Adv Mater. 2017 Aug;29(30). doi: 10.1002/adma.201701466. Epub 2017 Jun 6. Adv Mater. 2017. PMID: 28585293

3

Analyzing Dynamical Disorder for Charge Transport in Organic Semiconductors via Machine Learning.

Reiser P, Konrad M, Fediai A, Léon S, Wenzel W, Friederich P. Reiser P, et al. J Chem Theory Comput. 2021 Jun 8;17(6):3750-3759. doi: 10.1021/acs.jctc.1c00191. Epub 2021 May 4. J Chem Theory Comput. 2021. PMID: 33944566 Free article.

4

Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations.

Li J, Reiser P, Boswell BR, Eberhard A, Burns NZ, Friederich P, Lopez SA. Li J, et al. Among authors: reiser p. Chem Sci. 2021 Mar 10;12(14):5302-5314. doi: 10.1039/d0sc05610c. Chem Sci. 2021. PMID: 34163763 Free PMC article.

5

Graph neural networks for materials science and chemistry.

Reiser P, Neubert M, Eberhard A, Torresi L, Zhou C, Shao C, Metni H, van Hoesel C, Schopmans H, Sommer T, Friederich P. Reiser P, et al. Commun Mater. 2022;3(1):93. doi: 10.1038/s43246-022-00315-6. Epub 2022 Nov 26. Commun Mater. 2022. PMID: 36468086 Free PMC article. Review.

6

High-Throughput Synthesis and Machine Learning Assisted Design of Photodegradable Hydrogels.

Seifermann M, Reiser P, Friederich P, Levkin PA. Seifermann M, et al. Among authors: reiser p. Small Methods. 2023 Sep;7(9):e2300553. doi: 10.1002/smtd.202300553. Epub 2023 Jun 7. Small Methods. 2023. PMID: 37287430

7

Modeling Charge Transport in Organic Semiconductors Using Neural Network Based Hamiltonians and Forces.

Dohmen PM, Krämer M, Reiser P, Friederich P, Elstner M, Xie W. Dohmen PM, et al. Among authors: reiser p. J Chem Theory Comput. 2023 Jul 11;19(13):3825-3838. doi: 10.1021/acs.jctc.3c00264. Epub 2023 Jun 21. J Chem Theory Comput. 2023. PMID: 37341096

8

Integrated System Built for Small-Molecule Semiconductors via High-Throughput Approaches.

Wu J, Zhang J, Hu M, Reiser P, Torresi L, Friederich P, Lahn L, Kasian O, Guldi DM, Pérez-Ojeda ME, Barabash A, Rocha-Ortiz JS, Zhao Y, Xie Z, Luo J, Wang Y, Seok SI, Hauch JA, Brabec CJ. Wu J, et al. Among authors: reiser p. J Am Chem Soc. 2023 Aug 2;145(30):16517-16525. doi: 10.1021/jacs.3c03271. Epub 2023 Jul 19. J Am Chem Soc. 2023. PMID: 37467341 Free PMC article.

9

Accurate GW frontier orbital energies of 134 kilo molecules.

Fediai A, Reiser P, Peña JEO, Friederich P, Wenzel W. Fediai A, et al. Among authors: reiser p. Sci Data. 2023 Sep 5;10(1):581. doi: 10.1038/s41597-023-02486-4. Sci Data. 2023. PMID: 37669957 Free PMC article.

10

Inverse design workflow discovers hole-transport materials tailored for perovskite solar cells.

Wu J, Torresi L, Hu M, Reiser P, Zhang J, Rocha-Ortiz JS, Wang L, Xie Z, Zhang K, Park BW, Barabash A, Zhao Y, Luo J, Wang Y, Lüer L, Deng LL, Hauch JA, Guldi DM, Pérez-Ojeda ME, Seok SI, Friederich P, Brabec CJ. Wu J, et al. Among authors: reiser p. Science. 2024 Dec 13;386(6727):1256-1264. doi: 10.1126/science.ads0901. Epub 2024 Dec 12. Science. 2024. PMID: 39666797

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