| Second group of high-pressure high-temperature lanthanide polyhydride superconductors W Sun, X Kuang, HDJ Keen, C Lu, A Hermann Physical Review B 102 (14), 144524, 2020 | 155 | 2020 |
| Phase stability and superconductivity of lead hydrides at high pressure B Chen, LJ Conway, W Sun, X Kuang, C Lu, A Hermann Physical Review B 103 (3), 035131, 2021 | 120 | 2021 |
| High pressure ices A Hermann, NW Ashcroft, R Hoffmann Proceedings of the National Academy of Sciences 109 (3), 745-750, 2012 | 113 | 2012 |
| ground- and excited-state properties from first-principles calculations WG Schmidt, M Albrecht, S Wippermann, S Blankenburg, E Rauls, ... Physical Review B—Condensed Matter and Materials Physics 77 (3), 035106, 2008 | 109 | 2008 |
| Study of the structural and electronic properties of neutral and charged niobium-doped silicon clusters: niobium encapsulated in silicon cages XX Xia, A Hermann, XY Kuang, YY Jin, C Lu, XD Xing The Journal of Physical Chemistry C 120 (1), 677-684, 2016 | 98 | 2016 |
| Insights into the geometries, electronic and magnetic properties of neutral and charged palladium clusters X Xing, A Hermann, X Kuang, M Ju, C Lu, Y Jin, X Xia, G Maroulis Scientific reports 6 (1), 19656, 2016 | 97 | 2016 |
| Convergence of the many-body expansion of interaction potentials: From van der Waals to covalent and metallic systems A Hermann, RP Krawczyk, M Lein, P Schwerdtfeger, IP Hamilton, ... Physical Review A—Atomic, Molecular, and Optical Physics 76 (1), 013202, 2007 | 96 | 2007 |
| Ground-State Properties of Crystalline Ice from Periodic Hartree-Fock Calculations<? format?> and a Coupled-Cluster-Based Many-Body Decomposition of the Correlation Energy A Hermann, P Schwerdtfeger Physical review letters 101 (18), 183005, 2008 | 90 | 2008 |
| Organic molecule adsorption on solid surfaces: chemical bonding, mutual polarisation and dispersion interaction WG Schmidt, K Seino, M Preuss, A Hermann, F Ortmann, F Bechstedt Applied Physics A 85, 387-397, 2006 | 89 | 2006 |
| Equation of state for solid neon from quantum theory P Schwerdtfeger, A Hermann Physical Review B—Condensed Matter and Materials Physics 80 (6), 064106, 2009 | 87 | 2009 |
| Resolving the optical spectrum of water: Coordination and electrostatic effects A Hermann, WG Schmidt, P Schwerdtfeger Physical review letters 100 (20), 207403, 2008 | 85 | 2008 |
| Reactivity of He with ionic compounds under high pressure Z Liu, J Botana, A Hermann, S Valdez, E Zurek, D Yan, H Lin, M Miao Nature communications 9 (1), 951, 2018 | 81 | 2018 |
| Evolution of the Structural and Electronic Properties of Medium-Sized Sodium Clusters: A Honeycomb-Like Na20 Cluster WG Sun, JJ Wang, C Lu, XX Xia, XY Kuang, A Hermann Inorganic chemistry 56 (3), 1241-1248, 2017 | 81 | 2017 |
| Deciphering the Structural Evolution and Electronic Properties of Magnesium Clusters: An Aromatic Homonuclear Metal Mg17 Cluster X Xia, X Kuang, C Lu, Y Jin, X Xing, G Merino, A Hermann The Journal of Physical Chemistry A 120 (40), 7947-7954, 2016 | 81 | 2016 |
| Spin-orbit effects in structural and electronic properties for the solid state of the group-14 elements from carbon to superheavy element 114 A Hermann, J Furthmüller, HW Gäggeler, P Schwerdtfeger Physical Review B—Condensed Matter and Materials Physics 82 (15), 155116, 2010 | 80 | 2010 |
| Strongly bonded water monomers on the ice Ih basal plane: Density-functional calculations C Thierfelder, A Hermann, P Schwerdtfeger, WG Schmidt Physical Review B—Condensed Matter and Materials Physics 74 (4), 045422, 2006 | 79 | 2006 |
| Plastic and superionic helium ammonia compounds under high pressure and high temperature C Liu, H Gao, A Hermann, Y Wang, M Miao, CJ Pickard, RJ Needs, ... Physical Review X 10 (2), 021007, 2020 | 78 | 2020 |
| Convergence of the Møller-Plesset perturbation series for the fcc lattices of neon and argon P Schwerdtfeger, B Assadollahzadeh, A Hermann Physical Review B—Condensed Matter and Materials Physics 82 (20), 205111, 2010 | 75 | 2010 |
| From Wade–Mingos to Zintl–Klemm at 100 GPa: binary compounds of boron and lithium A Hermann, A McSorley, NW Ashcroft, R Hoffmann Journal of the American Chemical Society 134 (45), 18606-18618, 2012 | 63 | 2012 |
| Xenon suboxides stable under pressure A Hermann, P Schwerdtfeger The Journal of Physical Chemistry Letters 5 (24), 4336-4342, 2014 | 59 | 2014 |
Peter SchwerdtfegerDist. Professor, Theoretical Chemistry and Physics, NZIAS, Massey University, Auckland, New ZealandVerified email at massey.ac.nz
