Researchers



Results 201-216 of 216
Issue DateTitleAuthor(s)TypeМp-cat.
2013Zinc oxide: Connecting theory and experimentZagorac, Dejan  ; Schoen, Johann Christian; Zagorac, Jelena B.  ; Pentin, Ilya Vladimirovich; Jansen, MartinArticle
24M24
2013Structure prediction and Energy Landscape exploration in the Zinc Oxide systemZagorac, Dejan B.  ; C. Schoen; I. Pentin; M. JansenConference Paper
Mp. category will be shown later
2013Structure prediction as a guide in synthesis planning – identification of promising chemical systems for the synthesis of the 5-5 structure type using an ab initio minimization structure extrapolation procedureZagorac, Dejan B.  ; C. Schoen; M. JansenConference Paper
Mp. category will be shown later
2013Identification of promising chemical systems for the synthesis of newmaterials structure types: An ab initio minimization data miningapproachZagorac, Dejan B.  ; C. Schoen; M. JansenArticle
24M24
2012Energy Landscape Investigations Using the Prescribed Path Method in the ZnO SystemZagorac, Dejan  ; Schön, J. Christian; Jansen, MartinArticle
21aM21a
2012Identification of promising chemical systems for the synthesis of new materials structure types: An ab initio minimization data mining approachZagorac, Dejan  ; J.C. Šon; M. JansenConference Paper
Mp. category will be shown later
2012Structure prediction and ab initio energy landscape exploration of PbS and the pernitrides of Ca, La and TiZagorac, Dejan B.  ; C. Schoen; K. Doll; A. Kulkarni; M. JansenConference Paper
Mp. category will be shown later
2012Sterically Active Electron Pairs in Lead Sulfide? An Investigation of the Electronic and Vibrational Properties of PbS in the Transition Region Between the Rock Salt and the α-GeTe-Type ModificationsZagorac, Dejan  ; Doll, Klaus; Schön, J. Christian; Jansen, MartinArticle
21aM21a
2012The prescribed path method for the investigation of multi-minima energy landscapesZagorac, Dejan B.  ; C. SchoenConference Paper
Mp. category will be shown later
2011Structure Prediction for PbS and ZnO at Different Pressures and Visualization of the Energy LandscapesZagorac, Dejan  ; Schön, J.C.; Doll, K.; Jansen, M.Article
23M23
2011Structure prediction and energy landscape exploration in the zinc oxide systemZagorac, Dejan  ; J.C. Šon; I.V. Pentin; M. JansenConference Paper
Mp. category will be shown later
2011Ab-initio structure prediction for lead sulfide at standard and elevated pressuresZagorac, Dejan  ; K. Dol; J. C. Šon; M. JansenArticle
Mp. category will be shown later
2011Ab initio</i> structure prediction for lead sulfide at standard and elevated pressuresZagorac, D.  ; Doll, K.; Schoen, J. C.; Jansen, M.Article
Mp. category will be shown later
2011Structure prediction and Energy Landscape exploration in the Zinc Oxide systemZagorac, Dejan B.  ; C. Schoen; M. Jansen; I. PentinArticle
52M52
2010Global exploration of Ab initio energy landscapes for the prediction of new crystalline compoundsZagorac, Dejan B.  ; C. Schoen; K. Doll; M. Jansen; A. KulkarniConference Paper
Mp. category will be shown later
2010Structure prediction for PbS and ZnO at different pressures and - visualization of the energy landscapesZagorac, Dejan  ; J.C. Schön; K. Doll; M. JansenConference Paper
Mp. category will be shown later