The University of Southampton

Valerio Vitale

Postgraduate research student


Vitale, Valerio, Dziedzic, Jacek, Dubois, Simon M.-M., Fangohr, Hans and Skylaris, Chris-Kriton (2015) Anharmonic infrared spectroscopy through the Fourier transform of time correlation function formalism in ONETEP Journal of Chemical Theory and Computation, 11, (7), pp. 3321-3332. (doi:10.1021/acs.jctc.5b00391).

Vitale, Valerio, Dziedzic, Jacek, Albaugh, Alex, Niklasson, Anders M.N., Head-Gordon, Teresa and Skylaris, Chris-Kriton (2017) Performance of extended Lagrangian schemes for molecular dynamics simulations with classical polarizable force fields and density functional theory The Journal of Chemical Physics, 146, (12) (doi:10.1063/1.4978684).


Share this profile FacebookGoogle+TwitterWeibo

We use cookies to ensure that we give you the best experience on our website. If you continue without changing your settings, we will assume that you are happy to receive cookies on the University of Southampton website.