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Unifying Microscopic and Continuum Treatments of van der Waals and Casimir Interactions.
Venkataram PS, Hermann J, Tkatchenko A, Rodriguez AW. Venkataram PS, et al. Among authors: hermann j. Phys Rev Lett. 2017 Jun 30;118(26):266802. doi: 10.1103/PhysRevLett.118.266802. Epub 2017 Jun 29. Phys Rev Lett. 2017. PMID: 28707905
Communication: Many-body stabilization of non-covalent interactions: Structure, stability, and mechanics of Ag3Co(CN)6 framework.
Liu X, Hermann J, Tkatchenko A. Liu X, et al. Among authors: hermann j. J Chem Phys. 2016 Dec 28;145(24):241101. doi: 10.1063/1.4972810. J Chem Phys. 2016. PMID: 28010070
Nanoscale π-π stacked molecules are bound by collective charge fluctuations.
Hermann J, Alfè D, Tkatchenko A. Hermann J, et al. Nat Commun. 2017 Feb 7;8:14052. doi: 10.1038/ncomms14052. Nat Commun. 2017. PMID: 28169280 Free PMC article.
First-Principles Models for van der Waals Interactions in Molecules and Materials: Concepts, Theory, and Applications.
Hermann J, DiStasio RA Jr, Tkatchenko A. Hermann J, et al. Chem Rev. 2017 Mar 22;117(6):4714-4758. doi: 10.1021/acs.chemrev.6b00446. Epub 2017 Mar 8. Chem Rev. 2017. PMID: 28272886 Review.
Electronic Exchange and Correlation in van der Waals Systems: Balancing Semilocal and Nonlocal Energy Contributions.
Hermann J, Tkatchenko A. Hermann J, et al. J Chem Theory Comput. 2018 Mar 13;14(3):1361-1369. doi: 10.1021/acs.jctc.7b01172. Epub 2018 Feb 21. J Chem Theory Comput. 2018. PMID: 29447445
Phonon-Polariton Mediated Thermal Radiation and Heat Transfer among Molecules and Macroscopic Bodies: Nonlocal Electromagnetic Response at Mesoscopic Scales.
Venkataram PS, Hermann J, Tkatchenko A, Rodriguez AW. Venkataram PS, et al. Among authors: hermann j. Phys Rev Lett. 2018 Jul 27;121(4):045901. doi: 10.1103/PhysRevLett.121.045901. Phys Rev Lett. 2018. PMID: 30095944
Impact of nuclear vibrations on van der Waals and Casimir interactions at zero and finite temperature.
Venkataram PS, Hermann J, Vongkovit TJ, Tkatchenko A, Rodriguez AW. Venkataram PS, et al. Among authors: hermann j. Sci Adv. 2019 Nov 1;5(11):eaaw0456. doi: 10.1126/sciadv.aaw0456. eCollection 2019 Nov. Sci Adv. 2019. PMID: 31700997 Free PMC article.
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations.
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, Kranz JJ, Köhler C, Kowalczyk T, Kubař T, Lee IS, Lutsker V, Maurer RJ, Min SK, Mitchell I, Negre C, Niehaus TA, Niklasson AMN, Page AJ, Pecchia A, Penazzi G, Persson MP, Řezáč J, Sánchez CG, Sternberg M, Stöhr M, Stuckenberg F, Tkatchenko A, Yu VW, Frauenheim T. Hourahine B, et al. Among authors: hermann j. J Chem Phys. 2020 Mar 31;152(12):124101. doi: 10.1063/1.5143190. J Chem Phys. 2020. PMID: 32241125
Density Functional Model for van der Waals Interactions: Unifying Many-Body Atomic Approaches with Nonlocal Functionals.
Hermann J, Tkatchenko A. Hermann J, et al. Phys Rev Lett. 2020 Apr 10;124(14):146401. doi: 10.1103/PhysRevLett.124.146401. Phys Rev Lett. 2020. PMID: 32338971
A novel correction scheme for DFT: a combined vdW-DF/CCSD(T) approach.
Hermann J, Bludský O. Hermann J, et al. J Chem Phys. 2013 Jul 21;139(3):034115. doi: 10.1063/1.4813826. J Chem Phys. 2013. PMID: 23883018
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