| Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ... Acta Crystallographica Section B: Structural Science, Crystal Engineering …, 2016 | 578 | 2016 |
| The viscosity of liquid iron at the physical conditions of the Earth's core GA de Wijs, G Kresse, L Vočadlo, D Dobson, D Alfe, MJ Gillan, GD Price Nature 392 (6678), 805-807, 1998 | 310 | 1998 |
| Mixed magnetism for refrigeration and energy conversion NH Dung, ZQ Ou, L Caron, L Zhang, DTC Thanh, GA De Wijs, ... Advanced Energy Materials 1 (6), 1215-1219, 2011 | 294 | 2011 |
| Spin-polarization in half-metals CM Fang, GA De Wijs, RA De Groot Journal of Applied Physics 91 (10), 8340-8344, 2002 | 268 | 2002 |
| Modeling the polymorphism of pentacene CC Mattheus, GA De Wijs, RA De Groot, TTM Palstra Journal of the American Chemical Society 125 (20), 6323-6330, 2003 | 267 | 2003 |
| Towards 100% spin-polarized charge-injection: The half-metallic NiMnSb/CdS interface GA De Wijs, RA De Groot Physical Review B 64 (2), 020402, 2001 | 252 | 2001 |
| Thermodynamic stability of boron: The role of defects and zero point motion MJ Van Setten, MA Uijttewaal, GA de Wijs, RA de Groot Journal of the American Chemical Society 129 (9), 2458-2465, 2007 | 195 | 2007 |
| The electronic structure of tantalum (oxy) nitrides TaON and Ta3N5 CM Fang, E Orhan, GA De Wijs, HT Hintzen, RA De Groot, R Marchand, ... Journal of Materials Chemistry 11 (4), 1248-1252, 2001 | 180 | 2001 |
| Anisotropy of the mobility of pentacene from frustration GA De Wijs, CC Mattheus, RA De Groot, TTM Palstra Synthetic metals 139 (1), 109-114, 2003 | 177 | 2003 |
| Anomalous behavior of the semiconducting gap in from first-principles calculations GA De Wijs, PK De Boer, RA De Groot, G Kresse Physical Review B 59 (4), 2684, 1999 | 170 | 1999 |
| Electronic structure and optical properties of lightweight metal hydrides MJ Van Setten, VA Popa, GA De Wijs, G Brocks Physical Review B 75 (3), 035204, 2007 | 169 | 2007 |
| First-order phase transitions by first-principles free-energy calculations: The melting of Al GA de Wijs, G Kresse, MJ Gillan Physical Review B 57 (14), 8223, 1998 | 162 | 1998 |
| Modeling and analysis of the three-dimensional current density in sandwich-type single-carrier devices of disordered organic semiconductors JJM Van Der Holst, MA Uijttewaal, B Ramachandhran, R Coehoorn, ... Physical Review B 79 (8), 085203, 2009 | 161 | 2009 |
| DFT study of planar boron sheets: a new template for hydrogen storage S Er, GA de Wijs, G Brocks The Journal of Physical Chemistry C 113 (43), 18962-18967, 2009 | 147 | 2009 |
| First principles calculations on crystalline and liquid iron at Earth's core conditions L Vočadlo, GA de Wijs, G Kresse, M Gillan, GD Price Faraday Discussions 106, 205-218, 1997 | 135 | 1997 |
| Role of Magnetism in Catalysis: RuO2 (110) Surface E Torun, CM Fang, GA De Wijs, RA De Groot The Journal of Physical Chemistry C 117 (12), 6353-6357, 2013 | 117 | 2013 |
| The role of connectivity on electronic properties of lead iodide perovskite-derived compounds ME Kamminga, GA de Wijs, RWA Havenith, GR Blake, TTM Palstra Inorganic chemistry 56 (14), 8408-8414, 2017 | 105 | 2017 |
| Structure and electronic properties of amorphous GA De Wijs, RA De Groot Physical Review B 60 (24), 16463, 1999 | 105 | 1999 |
| Ab Initio and Work Function and Surface Energy Anisotropy of LaB6 MA Uijttewaal, GA De Wijs, RA De Groot The Journal of Physical Chemistry B 110 (37), 18459-18465, 2006 | 96 | 2006 |
| Symmetry, dynamics, and defects in methylammonium lead halide perovskites WMJ Franssen, SGD van Es, R Dervişoğlu, GA de Wijs, ... The Journal of Physical Chemistry Letters 8 (1), 61-66, 2017 | 87 | 2017 |
