2 Questions 5 Answers 0 Followers
Questions related from Soumyo Sen
The system contains heavy atoms and water. Total number of basis function is 396. When the system was running with MP2, the job is running. But the water molecules were almost not moving. Energy...
02 March 2015 9,179 12 View
I need to run an atomistic molecular dynamics simulation of a system in which some neutral gold atoms are randomly distributed in water box. I need to see how the gold atoms behave in water with...
16 November 2014 5,419 2 View