검색결과 : 6건
| No. | Article |
|---|---|
| 1 |
Reproducibility in density functional theory calculations of solids Lejaeghere K, Bihlmayer G, Bjorkman T, Blaha P, Blugel S, Blum V, Caliste D, Castelli IE, Clark SJ, Dal Corso A, de Gironcoli S, Deutsch T, Dewhurst JK, Di Marco I, Draxl C, Dulak M, Eriksson O, Flores-Livas JA, Garrity KF, Genovese L, Giannozzi P, Giantomassi M, Goedecker S, Gonze X, Granas O, Gross EKU, Gulans A, Gygi F, Hamann DR, Hasnip PJ, Holzwarth NAW, Iusan D, Jochym DB, Jollet F, Jones D, Kresse G, Koepernik K, Kucukbenli E, Kvashnin YO, Locht ILM, Lubeck S, Marsman M, Marzari N, Nitzsche U, Nordstrom L, Ozaki T, Paulatto L, Pickard CJ, Poelmans W, Probert MIJ, Refson K, Richter M, Rignanese GM, Saha S, Scheffler M, Schlipf M, Schwarz K, Sharma S, Tavazza F, Thunstrom P, Tkatchenko A, Torrent M, Vanderbilt D, van Setten MJ, Van Speybroeck V, Wills JM, Yates JR, Zhang GX, Cottenier S Science, 351(6280), 1415, 2016 |
| 2 |
Growth and Structural Properties of Mg-N (N = 10-56) Clusters: Density Functional Theory Study (vol 115, 12307, 2011) Heidari I, De S, Ghazi SM, Goedecker S, Kanhere DG Journal of Physical Chemistry A, 116(1), 798, 2012 |
| 3 |
Growth and Structural Properties of Mg-N (N=10-56) Clusters: Density Functional Theory Study Heidari I, De S, Ghazi SM, Goedecker S, Kanhere DG Journal of Physical Chemistry A, 115(44), 12307, 2011 |
| 4 |
Chemical Wiring and Soldering toward All-Molecule Electronic Circuitry Okawa Y, Mandal SK, Hu CP, Tateyama Y, Goedecker S, Tsukamoto S, Hasegawa T, Gimzewski JK, Aono M Journal of the American Chemical Society, 133(21), 8227, 2011 |
| 5 |
A Minima Hopping Study of All-Atom Protein Folding and Structure Prediction Roy S, Goedecker S, Field MJ, Penev E Journal of Physical Chemistry B, 113(20), 7315, 2009 |
| 6 |
Minima hopping: An efficient search method for the global minimum of the potential energy surface of complex molecular systems Goedecker S Journal of Chemical Physics, 120(21), 9911, 2004 |