TY  - CHAP
AU  - Zagorac, Dejan
AU  - Schön, Christian J.
AU  - Wales, David J.
PY  - 2022
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/10304
AB  - This book chapter provides a comprehensive overview of research on the energy landscapes of zinc oxide (ZnO), one of the most investigated materials, due to its great variety of technological and industrial applications. Thus, not only crystalline and bulk ZnO – both pure and doped – but also ZnO surfaces, monolayers, nanotubes, clusters, cluster-assembled materials, and ZnO nanostructures and nanomaterials in general are of great interest. In order to fully explore the energy landscape of ZnO on all length scales ranging from bulk, layers, and nanotubes to clusters, a broad range of landscape exploration methods has been employed in the literature, including, e.g., global optimisation for structure prediction using empirical potentials, local optimisation at the ab initio level, and the prescribed path algorithm, the threshold algorithm, and metashooting for the study of the barrier structures and transition regions of the landscapes of ZnO. As examples of such landscape investigations, doped and pure crystalline ZnO, as well as ZnO surfaces, clusters, and nanotubes will be discussed.
T2  - Frontiers of Nanoscience
T1  - Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures
VL  - 21
SP  - 151
EP  - 193
DO  - 10.1016/B978-0-12-824406-7.00015-4
ER  - 

@inbook{
author = "Zagorac, Dejan and Schön, Christian J. and Wales, David J.",
year = "2022",
abstract = "This book chapter provides a comprehensive overview of research on the energy landscapes of zinc oxide (ZnO), one of the most investigated materials, due to its great variety of technological and industrial applications. Thus, not only crystalline and bulk ZnO – both pure and doped – but also ZnO surfaces, monolayers, nanotubes, clusters, cluster-assembled materials, and ZnO nanostructures and nanomaterials in general are of great interest. In order to fully explore the energy landscape of ZnO on all length scales ranging from bulk, layers, and nanotubes to clusters, a broad range of landscape exploration methods has been employed in the literature, including, e.g., global optimisation for structure prediction using empirical potentials, local optimisation at the ab initio level, and the prescribed path algorithm, the threshold algorithm, and metashooting for the study of the barrier structures and transition regions of the landscapes of ZnO. As examples of such landscape investigations, doped and pure crystalline ZnO, as well as ZnO surfaces, clusters, and nanotubes will be discussed.",
journal = "Frontiers of Nanoscience",
booktitle = "Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures",
volume = "21",
pages = "151-193",
doi = "10.1016/B978-0-12-824406-7.00015-4"
}

Zagorac, D., Schön, C. J.,& Wales, D. J.. (2022). Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures. in Frontiers of Nanoscience, 21, 151-193.
https://doi.org/10.1016/B978-0-12-824406-7.00015-4

Zagorac D, Schön CJ, Wales DJ. Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures. in Frontiers of Nanoscience. 2022;21:151-193.
doi:10.1016/B978-0-12-824406-7.00015-4 .

Zagorac, Dejan, Schön, Christian J., Wales, David J., "Chapter 8 - Energy landscapes of pure and doped ZnO: from bulk crystals to nanostructures" in Frontiers of Nanoscience, 21 (2022):151-193,
https://doi.org/10.1016/B978-0-12-824406-7.00015-4 . .

TY  - JOUR
AU  - Zagorac, Dejan
AU  - Wales, David J.
AU  - Schön, Johann Christian
AU  - Prasad, Dasari L. V. K.
PY  - 2020
UR  - https://vinar.vin.bg.ac.rs/handle/123456789/9927
AB  - This article summarizes the presentations delivered at the Energy Landscapes Conference held in Belgrade, Serbia, from 26 to 30 August 2019. The focus of the conference was on the present state of the art in theoretical energy landscape approaches, and their applications in the fields of chemistry, physics, biology, and materials science in general. The presentations were organized around some of the hot topics, such as applications from spectroscopy to the solid-state, folding and misfolding of proteins, DNA and RNA, multiscale modeling, materials under extreme pressure/temperature conditions, designing landscapes for self-assembly and multifunctional systems, landscapes for machine learning, atomic, molecular, colloidal and nanoalloy clusters.
T2  - Journal of Innovative Materials in Extreme Conditions
T1  - Energy Landscapes 2019
VL  - 1
IS  - 1
SP  - 2
EP  - 6
UR  - https://hdl.handle.net/21.15107/rcub_vinar_9927
ER  - 

@article{
author = "Zagorac, Dejan and Wales, David J. and Schön, Johann Christian and Prasad, Dasari L. V. K.",
year = "2020",
abstract = "This article summarizes the presentations delivered at the Energy Landscapes Conference held in Belgrade, Serbia, from 26 to 30 August 2019. The focus of the conference was on the present state of the art in theoretical energy landscape approaches, and their applications in the fields of chemistry, physics, biology, and materials science in general. The presentations were organized around some of the hot topics, such as applications from spectroscopy to the solid-state, folding and misfolding of proteins, DNA and RNA, multiscale modeling, materials under extreme pressure/temperature conditions, designing landscapes for self-assembly and multifunctional systems, landscapes for machine learning, atomic, molecular, colloidal and nanoalloy clusters.",
journal = "Journal of Innovative Materials in Extreme Conditions",
title = "Energy Landscapes 2019",
volume = "1",
number = "1",
pages = "2-6",
url = "https://hdl.handle.net/21.15107/rcub_vinar_9927"
}

Zagorac, D., Wales, D. J., Schön, J. C.,& Prasad, D. L. V. K.. (2020). Energy Landscapes 2019. in Journal of Innovative Materials in Extreme Conditions, 1(1), 2-6.
https://hdl.handle.net/21.15107/rcub_vinar_9927

Zagorac D, Wales DJ, Schön JC, Prasad DLVK. Energy Landscapes 2019. in Journal of Innovative Materials in Extreme Conditions. 2020;1(1):2-6.
https://hdl.handle.net/21.15107/rcub_vinar_9927 .

Zagorac, Dejan, Wales, David J., Schön, Johann Christian, Prasad, Dasari L. V. K., "Energy Landscapes 2019" in Journal of Innovative Materials in Extreme Conditions, 1, no. 1 (2020):2-6,
https://hdl.handle.net/21.15107/rcub_vinar_9927 .