Raman Spectra of Liquid Water from Ab Initio Molecular Dynamics: Vibrational Signatures of Charge Fluctuations in the Hydrogen Bond Network Q Wan, L Spanu, GA Galli, F Gygi Journal of chemical theory and computation 9 (9), 4124-4130, 2013 | 98 | 2013 |
The refractive index and electronic gap of water and ice increase with increasing pressure D Pan, Q Wan, G Galli Nature communications 5 (1), 3919, 2014 | 82 | 2014 |
First-principles framework to compute sum-frequency generation vibrational spectra of semiconductors and insulators Q Wan, G Galli Physical Review Letters 115 (24), 246404, 2015 | 55 | 2015 |
Solvation Properties of Microhydrated Sulfate Anion Clusters: Insights from abInitio Calculations Q Wan, L Spanu, G Galli The Journal of Physical Chemistry B 116 (31), 9460-9466, 2012 | 27 | 2012 |
Electronic structure of aqueous sulfuric acid from first-principles simulations with hybrid functionals Q Wan, L Spanu, F Gygi, G Galli The Journal of Physical Chemistry Letters 5 (15), 2562-2567, 2014 | 26 | 2014 |
Ab initio Raman spectroscopy of water under extreme conditions V Rozsa, D Pan, Q Wan, G Galli APS March Meeting Abstracts 2016, K21. 001, 2016 | | 2016 |
Sum grequency generation spectroscopy from first principles Q Wan, G Galli APS March Meeting Abstracts 2015, G24. 006, 2015 | | 2015 |
Sum frequency generation spectra of ice surfaces from first principles simulations Q Wan, F Gygi, G Galli APS March Meeting Abstracts 2014, L27. 004, 2014 | | 2014 |
Vibrational spectroscopy of liquid water from first principles simulations: Raman Spectra Q Wan, L Spanu, G Galli, F Gygi APS March Meeting Abstracts 2013, M24. 007, 2013 | | 2013 |
Structural and vibrational properties of sulphate-water clusters from ab-initio calculations Q Wan, L Spanu, G Galli APS March Meeting Abstracts 2012, H35. 011, 2012 | | 2012 |