Signed in as:
Generic Monte Carlo crystal-growth software for simulation of crystal habit and nanoscale surface topography
When using CrystalGrower to simulate the crystal growth of your materials, please cite it in your scientific publications as follows:
M. W. Anderson, J. T. Gebbie-Rayet, A. R. Hill, N. Farida, M. P. Attfield, P. Cubillas, V. A. Blatov, D. M. Proserpio, D. Akporiaye, B. Arstad and J. D. Gale; Predicting crystal growth via a unified kinetic three-dimensional partition model. Nature, 544, 456–459 (2017)
A. R. Hill, P. Cubillas, J. T. Gebbie-Rayet, M. Trueman, N. de Bruyn, Z. al Harthi, R. J. S. Pooley, M. P. Attfield, V. A. Blatov, D. M. Proserpio, J. D. Gale, D. Akporiaye, B. Arstad and M. W. Anderson; CrystalGrower: A Generic Computer Program for Monte Carlo Modelling of Crystal Growth. Chem. Sci., 12, 1126–1146 (2021)
Calculation of the solvation contributions to the free energy of crystallisation for ~180 solvents
Multiple screw dislocations
Visualisation of the energies of crystal surfaces
NEW SOFTWARE VERSION X 1.12 AVAILABLE!!
New version can calculate crystallisation energies for ~180 solvents; can incorporate multiple screw dislocations; displays surface energies; can simulate intergrowths/solid solutions; outputs site-type populations; outputs growth modifier sites for input to docking software
Nathan de Bruyn joins the CrystalGrower team. If you have any questions about CrystalGrower you can contact Nathan here
New release of CrystalGrower_X_126.96.36.199 is live! Download it here.
New release of CrystalGrower_X_188.8.131.52 is live! Download it here.
This version fixes a few minor bugs and one more major bug from version CrystalGrower_X_184.108.40.206 whereby the energies for a “net” simulation did not update if you set these energies to “vary” using the Graphical User Interface. There is also a new version of the visualiser CG Visualiser v1.70. For those using the Command Line Interface there is a small change to the input.txt file and a suitable updated version is included.
CrystalGrower Ltd registered at Companies House
Beta version of CrystalGrower is available now!
Check out our latest publication in Chemical Science.