Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion

Matthew Addicoat , Claire Adjiman (1) , Mihails Arhangelskis , Gregory Beran , David Bowskill , Jan Gerit Brandenburg (2) , Doris Braun , Virginia Burger , Jason M. Cole (3) , Aurora Cruz-Cabeza , Graeme Day , Volker L Deringer (4) , Rui Guo (5) , Alan Hare , Julian Helfferich (6) , Johannes Hoja , Luca Iuzzolino , Samuel Jobbins , Noa Marom (7) , David Mckay (8) , John Mitchell (9) , Sharmarke Mohamed , Marcus Neumann , Sten Nilsson Lill , Jonas Nyman , Artem Oganov , Pablo Piaggi , Sarah Price , Susan Reutzel-Edens , Ivo B. Rietveld (10) , Michael Ruggiero (4) , Matthew Ryder , German Sastre (11) , J. Christian Schön (12) , Christopher Taylor , Alexandre Tkatchenko , Seiji Tsuzuki (13) , Joost van den Ende , Scott Woodley (14) , Grahame Woollam , Qiang Zhu

1 Respiratory Epidemiology and Public Health
2 Rheinische Friedrich-Wilhelms-Universität Bonn
3 Blackett Laboratory
4 CAM - University of Cambridge [UK]
5 Brigham and Women's Hospital [Boston]
6 KIT - Karlsruhe Institute of Technology
7 ICES - Institute for Computational Engineering and Sciences [Austin]
8 School of Engineering and Physical Sciences, Heriot-Watt University
9 UCL - University College of London [London]
10 SMS - Sciences et Méthodes Séparatives
11 Univ Politecnica Valencia Consejo Super Invest, Inst Tecnol Quim UPV CSIC, Valencia 46022, Spain
12 Max Planck Institute for Solid State Research
13 AIST - National Institute of Advanced Industrial Science and Technology
14 Department of Chemistry, University College London

Domains: Theoretical and/or physical chemistry

Matthew Addicoat, Claire Adjiman, Mihails Arhangelskis, Gregory Beran, David Bowskill, et al.. Crystal structure evaluation: calculating relative stabilities and other criteria: general discussion. 2018, pp.325-381. ⟨10.1039/C8FD90031K⟩. ⟨hal-02452343⟩