Speaker
Prof.
Giulia Galli
(University of Chicago)
Description
We will discuss recent progress and new challenges in
predicting the electronic [1] and vibrational [2]
properties of
water and simple aqueous solutions [3] interfaced with
semiconducting and insulating surfaces. We will present
results obtained by coupling ab initio molecular dynamics
calculations with many body perturbation theory [4].
[1] T. Anh Pham, Cui Zhang, Eric Schwegler, and Giulia
Galli,
Phys. Rev. B 89, 060202(R) (2014); T. Anh Pham,
Donghwa
Lee,Eric Schwegler, and Giulia Galli 2014 (submitted).
[2] Quan Wan, Leonardo Spanu, Giulia Galli and Francois
Gygi, J. Chem. Theo. Comp. 9, 4124 (2013); Patrick
Huang,
T. Anh Pham, Giulia Galli, and Eric Schwegler , J. Phys.
Chem.
C 118, 8944 (2014).
[3] Alex P. Gaiduk, Cui Zhang, Francois Gygi, and Giulia
Galli,
Chem. Phys. Lett. 604, 89 (2014); Quan Wan, Leonardo
Spanu, Francois Gygi and Giulia Galli J. Phys. Chem. Lett.
5(15), 2562 (2014); Cui Zhang, Tuan Anh Pham, Francois
Gygi and Giulia Galli, J. Chem. Phys- Comm. 138, 181102
(2013).
[4] T. Anh Pham, Huy-Viet Nguyen, Dario Rocca and Giulia
Galli, Phys. Rev. B 87, 155148 (2013) ; Yuan Ping, Dario
Rocca and Giulia Galli, Chem Soc. Rev. 42, 2437 (2013).
