| 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 |
0.533 |
|
| 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 |
0.721 |
|
| 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 |
0.653 |
|
| 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 |
0.593 |
|
| 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 |
0.674 |
|
| 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 |
0.687 |
|
| 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 |
0.648 |
|
| 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 |
0.622 |
|
| 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 |
0.548 |
|
| 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 |
0.451 |
|
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