검색결과 : 11건
| No. | Article |
|---|---|
| 1 |
Ab initio melting curve of copper by the phase coexistence approach Vocadlo L, Alfe D, Price GD, Gillan MJ Journal of Chemical Physics, 120(6), 2872, 2004 |
| 2 |
Atomic force algorithms in density functional theory electronic-structure techniques based on local orbitals Miyazaki T, Bowler DR, Choudhury R, Gillan MJ Journal of Chemical Physics, 121(13), 6186, 2004 |
| 3 |
Ab initio lattice dynamics and structural stability of MgO Oganov AR, Gillan MJ, Price GD Journal of Chemical Physics, 118(22), 10174, 2003 |
| 4 |
An embedding scheme based on quantum linear-scaling methods Bowler DR, Gillan MJ Chemical Physics Letters, 355(3-4), 306, 2002 |
| 5 |
Complementary approaches to the ab initio calculation of melting properties Alfe D, Gillan MJ, Price GD Journal of Chemical Physics, 116(14), 6170, 2002 |
| 6 |
Ab initio chemical potentials of solid and liquid solutions and the chemistry of the Earth's core Alfe D, Gillan MJ, Price GD Journal of Chemical Physics, 116(16), 7127, 2002 |
| 7 |
An efficient and robust technique for achieving self consistency in electronic structure calculations Bowler DR, Gillan MJ Chemical Physics Letters, 325(4), 473, 2000 |
| 8 |
Adsorption of methanol on TiO2(110) : A first-principles investigation Bates SP, Gillan MJ, Kresse G Journal of Physical Chemistry B, 102(11), 2017, 1998 |
| 9 |
The viscosity of liquid iron at the physical conditions of the Earth's core de Wijs GA, Kresse G, Vocadlo L, Dobson D, Alfe D, Gillan MJ, Price GD Nature, 392(6678), 805, 1998 |
| 10 |
The GaAs(001)-(2X4) Surface - Structure, Chemistry, and Adsorbates Goringe CM, Clark LJ, Lee MH, Payne MC, Stich I, White JA, Gillan MJ, Sutton AP Journal of Physical Chemistry B, 101(9), 1498, 1997 |