Jian Hui Lan

5 Questions 9 Answers 0 Followers

Questions related from Jian Hui Lan

Does anyone know how to scale down the coulombic interactions by a factor 500?

Recently, I am studying the organic/water interface interaction by using lammps. In order to solvate the organic molecules fully, the I hope to scale down the coulombic interactions by a factor...

11 November 2016 4,385 3 View

Is this the right 110 surface of gamma-Al2O3?

Can anyone help me to check my 110 surface of gamma-Al2O3 right? It seems weird...

07 July 2015 6,683 13 View

Can someone help me with an error with ab initio md with vasp ?

Dear everyone, I have performed some AIMD simulation with vasp recently, but found that several initial structures always converge to very unreasonable structures. The detailed systems I modeled...

02 February 2015 6,907 5 View

Can anyone give me some inspiration on the research meaning of actinide nanoparticle?

I noticed Au nanoparticles have been widely and extensively studied owing to their application in catalysis. However, is there any necessity to study actinide particle?

09 September 2014 9,643 0 View

Does anyone know the relationship between subshells of f orbital and the output in gaussian softwaref-3...f0..f3?

I am not clear the corresponding relationship between seven subshells of f orbitals and the output in gaussian 09, and can anyone tell me where to find the answer?

08 August 2014 3,673 4 View