CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth-Reference-Cited by-同舟云学术

CrystalGrower: a generic computer program for Monte Carlo modelling of crystal growth

Published:2021 Issue:3 Volume:12 Page:1126-1146
ISSN:2041-6520
Container-title:Chemical Science
language:en
Short-container-title:Chem. Sci.

Author:

Hill Adam R.¹²³⁴⁵^ORCID,Cubillas Pablo¹²³⁴⁵,Gebbie-Rayet James T.¹²³⁴⁵,Trueman Mollie¹²³⁴⁵,de Bruyn Nathan¹²³⁴⁵,Harthi Zulaikha al¹²³⁴⁵^ORCID,Pooley Rachel J. S.¹²³⁴⁵,Attfield Martin P.¹²³⁴⁵^ORCID,Blatov Vladislav A.⁶⁷⁸⁹⁶^ORCID,Proserpio Davide M.⁶⁷⁸⁹¹⁰^ORCID,Gale Julian D.¹¹¹²¹³¹⁴¹⁵,Akporiaye Duncan¹⁶¹⁷¹⁸,Arstad Bjørnar¹⁶¹⁷¹⁸,Anderson Michael W.¹²³⁴⁵^ORCID

Affiliation:

1. Centre for Nanoporous Materials

2. School of Chemistry

3. The University of Manchester

4. Manchester M13 9PL

5. UK

6. Samara Center for Theoretical Materials Science (SCTMS)

7. Samara State Technical University

8. Samara 443100

9. Russia

10. Università degli Studi di Milano

11. Curtin Institute for Computation

12. School of Molecular and Life Sciences

13. Curtin University

14. Perth

15. Australia

16. SINTEF Industry

17. 0314 Oslo

18. Norway

Abstract

Generic in silico methodology – CrystalGrower – for simulating crystal habit and nanoscopic surface topology to determine crystallisation free energies.

Funder

Russian Science Foundation

Norges Forskningsråd

Engineering and Physical Sciences Research Council

Australian Research Council

Leverhulme Trust

Royal Society

Universitá degli Studi di Milano

Publisher

Royal Society of Chemistry (RSC)

Subject

General Chemistry