Jan Hermann - Publications

2013-2017 Fritz Haber Institut der Max-Planck-Gesellschaft 
 2018-2018 University of Luxembourg 
 2019- Freie Universität Berlin, Berlin, Germany 
materials science, theoretical chemistry, computational chemistry

22 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 Mazo-Sevillano PD, Hermann J. Variational principle to regularize machine-learned density functionals: The non-interacting kinetic-energy functional. The Journal of Chemical Physics. 159. PMID 37971033 DOI: 10.1063/5.0166432  0.377
2023 Hermann J, Stöhr M, Góger S, Chaudhuri S, Aradi B, Maurer RJ, Tkatchenko A. libMBD: A general-purpose package for scalable quantum many-body dispersion calculations. The Journal of Chemical Physics. 159. PMID 37933783 DOI: 10.1063/5.0170972  0.629
2023 Hermann J, Spencer J, Choo K, Mezzacapo A, Foulkes WMC, Pfau D, Carleo G, Noé F. Ab initio quantum chemistry with neural-network wavefunctions. Nature Reviews. Chemistry. PMID 37558761 DOI: 10.1038/s41570-023-00516-8  0.553
2021 Ouyang W, Sofer R, Gao X, Hermann J, Tkatchenko A, Kronik L, Urbakh M, Hod O. Anisotropic Interlayer Force Field for Transition Metal Dichalcogenides: The Case of Molybdenum Disulfide. Journal of Chemical Theory and Computation. PMID 34719931 DOI: 10.1021/acs.jctc.1c00782  0.534
2021 Stöhr M, Sadhukhan M, Al-Hamdani YS, Hermann J, Tkatchenko A. Coulomb interactions between dipolar quantum fluctuations in van der Waals bound molecules and materials. Nature Communications. 12: 137. PMID 33420079 DOI: 10.1038/s41467-020-20473-w  0.722
2020 Hermann J, Schätzle Z, Noé F. Deep-neural-network solution of the electronic Schrödinger equation. Nature Chemistry. 12: 891-897. PMID 32968231 DOI: 10.1038/s41557-020-0544-y  0.585
2020 Sun Q, Zhang X, Banerjee S, Bao P, Barbry M, Blunt NS, Bogdanov NA, Booth GH, Chen J, Cui ZH, Eriksen JJ, Gao Y, Guo S, Hermann J, Hermes MR, et al. Recent developments in the PySCF program package. The Journal of Chemical Physics. 153: 024109. PMID 32668948 DOI: 10.1063/5.0006074  0.383
2020 Hermann J, Tkatchenko A. Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal Functionals. Physical Review Letters. 124: 146401. PMID 32338971 DOI: 10.1103/Physrevlett.124.146401  0.654
2020 Hourahine B, Aradi B, Blum V, Bonafé F, Buccheri A, Camacho C, Cevallos C, Deshaye MY, Dumitrică T, Dominguez A, Ehlert S, Elstner M, van der Heide T, Hermann J, Irle S, et al. DFTB+, a software package for efficient approximate density functional theory based atomistic simulations. The Journal of Chemical Physics. 152: 124101. PMID 32241125 DOI: 10.1063/1.5143190  0.594
2020 Cui TT, Li JC, Gao W, Hermann J, Tkatchenko A, Jiang Q. Nonlocal Electronic Correlations in the Cohesive Properties of High-Pressure Hydrogen Solids. The Journal of Physical Chemistry Letters. PMID 32031376 DOI: 10.1021/Acs.Jpclett.9B03716  0.589
2020 Venkataram PS, Hermann J, Tkatchenko A, Rodriguez AW. Fluctuational electrodynamics in atomic and macroscopic systems: van der Waals interactions and radiative heat transfer Physical Review B. 102. DOI: 10.1103/Physrevb.102.085403  0.666
2019 Venkataram PS, Hermann J, Vongkovit TJ, Tkatchenko A, Rodriguez AW. Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature. Science Advances. 5: eaaw0456. PMID 31700997 DOI: 10.1126/Sciadv.Aaw0456  0.657
2018 Venkataram PS, Hermann J, Tkatchenko A, Rodriguez AW. Phonon-Polariton Mediated Thermal Radiation and Heat Transfer among Molecules and Macroscopic Bodies: Nonlocal Electromagnetic Response at Mesoscopic Scales. Physical Review Letters. 121: 045901. PMID 30095944 DOI: 10.1103/Physrevlett.121.045901  0.593
2018 Hermann J, Tkatchenko A. Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions. Journal of Chemical Theory and Computation. 14: 1361-1369. PMID 29447445 DOI: 10.1021/Acs.Jctc.7B01172  0.611
2017 Venkataram PS, Hermann J, Tkatchenko A, Rodriguez AW. Unifying Microscopic and Continuum Treatments of van der Waals and Casimir Interactions. Physical Review Letters. 118: 266802. PMID 28707905 DOI: 10.1103/Physrevlett.118.266802  0.675
2017 Hermann J, DiStasio RA, Tkatchenko A. First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications. Chemical Reviews. PMID 28272886 DOI: 10.1021/Acs.Chemrev.6B00446  0.688
2017 Hermann J, Alfè D, Tkatchenko A. Nanoscale π-π stacked molecules are bound by collective charge fluctuations. Nature Communications. 8: 14052. PMID 28169280 DOI: 10.1038/Ncomms14052  0.649
2016 Liu X, Hermann J, Tkatchenko A. Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework. The Journal of Chemical Physics. 145: 241101. PMID 28010070 DOI: 10.1063/1.4972810  0.623
2016 Chattopadhyaya M, Hermann J, Poltavsky I, Tkatchenko A. Tuning Intermolecular Interactions with Nanostructured Environments Chemistry of Materials. 29: 2452-2458. DOI: 10.1021/Acs.Chemmater.6B04190  0.655
2014 Hermann J, Trachta M, Nachtigall P, Bludský O. Theoretical investigation of layered zeolite frameworks: Surface properties of 2D zeolites Catalysis Today. 227: 2-8. DOI: 10.1016/J.Cattod.2013.09.016  0.549
2013 Hermann J, Bludský O. A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach. The Journal of Chemical Physics. 139: 034115. PMID 23883018 DOI: 10.1063/1.4813826  0.376
2013 Položij M, Pérez-Mayoral E, Čejka J, Hermann J, Nachtigall P. Theoretical investigation of the Friedländer reaction catalysed by CuBTC: Concerted effect of the adjacent Cu2+ sites Catalysis Today. 204: 101-107. DOI: 10.1016/J.Cattod.2012.08.025  0.452
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