Lucas Andrade Silva

2 Questions 4 Answers 0 Followers

Questions related from Lucas Andrade Silva

Best practices for vibrational spectroscopy from molecular dynamics simulations?

I'm trying to validate a methodology for simulating Raman and IR spectra from classical MD simulations by using dipole and velocity autocorrelation functions. I get some good qualitative results...

20 September 2019 8,805 1 View

What is the best way to perform a simulation to find wetting angle in Materials Studio?

I've been having some difficulties to study contact angle via molecular dynamics in matrials studio and I don't know exactly where I should be changing setup. What would be better, Discover or...

24 July 2018 1,574 3 View