id
|
type
|
forcefield
|
system
|
code
|
added on
|
| 33 |
Molecular dynamics |
ERICA FF |
Quartz |
LAMMPS |
2020-04-08 |
| 36 |
Molecular dynamics |
ERICA FF |
Tricalcium silicate (Monoclinic crystal system) |
LAMMPS |
2020-04-08 |
| 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 |
| 35 |
Molecular dynamics |
ERICA FF |
Corundum |
LAMMPS |
2020-04-08 |
| 34 |
Molecular dynamics |
ERICA FF |
14 Å tobermorite |
LAMMPS |
2020-04-08 |
| 28 |
Energy minimisation |
CementFF |
11 Å Tobermorite |
METADISE |
2017-08-14 |
| 31 |
Energy minimisation |
ReaxFF |
Portlandite (Trigonal crystal system) |
GULP |
2017-08-31 |
| 22 |
Molecular dynamics |
CSH-FF |
14 Å tobermorite |
GULP |
2016-08-09 |
| 25 |
Molecular dynamics |
CSH-FF |
11 Å Tobermorite |
GULP |
2016-08-09 |
| 20 |
Molecular dynamics |
Core-shell |
14 Å tobermorite |
GULP |
2016-08-09 |
| 23 |
Molecular dynamics |
Core-shell |
11 Å Tobermorite |
GULP |
2016-08-09 |
| 21 |
Molecular dynamics |
CLAYFF |
14 Å tobermorite |
GULP |
2016-08-09 |
| 24 |
Molecular dynamics |
CLAYFF |
11 Å Tobermorite |
GULP |
2016-08-09 |
| 29 |
Molecular dynamics |
CementFF |
Tricalcium silicate (Monoclinic crystal system) |
DL_POLY |
2017-08-14 |
| 26 |
Molecular dynamics |
CementFF |
Portlandite (Trigonal crystal system) |
DL_POLY |
2017-05-17 |
| 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 |
| 27 |
MD - NPT |
INTERFACE Force Field |
11 Å Tobermorite |
Material Studio - Discover |
2017-08-14 |
| 30 |
MD - NPT |
INTERFACE Force Field |
14 Å tobermorite |
Material Studio - Discover |
2017-08-15 |