Modeling/Conditions:
Cutting a crystal in a specified plane to create a surface.
Modeling homo/random Dendrimer.
Building Smectic/Nematic/Cholesteric Liquid crystal system.
Selecting atoms/molecules randomly.
Setting MD cell length variable schedule.
Setting temperature/pressure variable schedule.
Potential functions:
Potential parameter optimization tool.
Variable charge potential method.
New potential functions (GEAM04,Tersoff89, Polinomial).
Calculation:
Performance improvement (approximately 50% faster in average).
Relaxation on Linux servers using Materials Explorer/MD (option).
Seamless execution of simulation jobs on Linux servers using Materials Explorer/MD (option).
Analysis:
Thermal conductivity for small molecules.
Physical Properties Evaluation.
Shear viscosity.
Rotation auto-correlation function.
Graphics:
Showing atoms only in the specific range of physical values.
Showing atomic charge values on a graphic screen.