Report on the sixth blind test of organic crystal structure prediction methods AM Reilly, RI Cooper, CS Adjiman, S Bhattacharya, AD Boese, ...
Structural Science 72 (4), 439-459, 2016
642 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
331 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
305 2011 Spin-polarization in half-metals CM Fang, GA De Wijs, RA De Groot
Journal of Applied Physics 91 (10), 8340-8344, 2002
280 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
269 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
262 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
203 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
185 2001 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
183 1998 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
179 2003 Electronic structure and optical properties of lightweight metal hydrides MJ Van Setten, VA Popa, GA De Wijs, G Brocks
Physical Review B—Condensed Matter and Materials Physics 75 (3), 035204, 2007
178 2007 Anomalous behavior of the semiconducting gap in GA De Wijs, PK De Boer, RA De Groot, G Kresse
Physical Review B 59 (4), 2684, 1999
176 1999 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
165 2009 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—Condensed Matter and Materials Physics 79 (8), 085203, 2009
163 2009 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
147 2013 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
141 1997 Structure and electronic properties of amorphous GA De Wijs, RA De Groot
Physical Review B 60 (24), 16463, 1999
115 1999 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
114 2017 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
98 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
91 2017 