Calculations

id
type
forcefield
system
code
added on
46 Molecular dynamics ERICA FF Portlandite (Trigonal crystal system) LAMMPS 2020-04-09
45 Molecular dynamics ERICA FF Calcium Sulfate unhydrate LAMMPS 2020-04-09
44 Molecular dynamics ERICA FF Gypsum LAMMPS 2020-04-09
43 Molecular dynamics ERICA FF Ettringite LAMMPS 2020-04-09
42 Molecular dynamics ERICA FF Lime LAMMPS 2020-04-09
41 Molecular dynamics ERICA FF Hydrogarnet LAMMPS 2020-04-09
40 Molecular dynamics ERICA FF Tricalcium Aluminate LAMMPS 2020-04-09
39 Molecular dynamics ERICA FF Boehmite LAMMPS 2020-04-09
38 Molecular dynamics ERICA FF Millosevichite LAMMPS 2020-04-09
37 Molecular dynamics ERICA FF Gibbsite LAMMPS 2020-04-09
36 Molecular dynamics ERICA FF Tricalcium silicate (Monoclinic crystal system) LAMMPS 2020-04-08
35 Molecular dynamics ERICA FF Corundum LAMMPS 2020-04-08
34 Molecular dynamics ERICA FF 14 Å tobermorite LAMMPS 2020-04-08
33 Molecular dynamics ERICA FF Quartz LAMMPS 2020-04-08
31 Energy minimisation ReaxFF Portlandite (Trigonal crystal system) GULP 2017-08-31
30 MD - NPT INTERFACE Force Field 14 Å tobermorite Material Studio - Discover 2017-08-15
29 Molecular dynamics CementFF Tricalcium silicate (Monoclinic crystal system) DL_POLY 2017-08-14
28 Energy minimisation CementFF 11 Å Tobermorite METADISE 2017-08-14
27 MD - NPT INTERFACE Force Field 11 Å Tobermorite Material Studio - Discover 2017-08-14
26 Molecular dynamics CementFF Portlandite (Trigonal crystal system) DL_POLY 2017-05-17
25 Molecular dynamics CSH-FF 11 Å Tobermorite GULP 2016-08-09
24 Molecular dynamics CLAYFF 11 Å Tobermorite GULP 2016-08-09
23 Molecular dynamics Core-shell 11 Å Tobermorite GULP 2016-08-09
22 Molecular dynamics CSH-FF 14 Å tobermorite GULP 2016-08-09
21 Molecular dynamics CLAYFF 14 Å tobermorite GULP 2016-08-09
20 Molecular dynamics Core-shell 14 Å tobermorite GULP 2016-08-09
19 Molecular dynamics CementFF 14 Å tobermorite DL_POLY 2016-07-19
18 MD - NPT INTERFACE Force Field Tricalcium silicate (Triclinic crystal system) Material Studio - Discover 2016-07-12
16 MD - NPT INTERFACE Force Field Tricalcium silicate (Monoclinic crystal system) Material Studio - Discover 2016-06-24