All posts by enrico

Our atmospheric chemistry paper “Nitrogen-Containing, Light-Absorbing Oligomers Produced in Aerosol Particles Exposed to Methylglyoxal, Photolysis, and Cloud Cycling” with David de Haan and coworkers has been published in Environmental Science and Technology.Screen Shot 2018-03-10 at 7.23.35 PM


Our paper on tachysterol has been published.

toc_newThe role of tachysterol in vitamin D photosynthesis – A non-adiabatic molecular dynamics studyCecilia Cisneros,   Travis Thompson,   Noel Baluyot,  Adam Christopher Smith and Enrico TapaviczaPhys. Chem. Chem. Phys., 2017, Accepted Manuscript DOI: 10.1039/C6CP08064B


Cecilia Cisneros wins the poster price at the

Southern California Undergraduate Research Conference (SCURC)

Congratulations Cecilia!


04 April 2016

Our article on cyclohexadiene was published:


25 August 2015

Our machine learning paper is published:

Electronic spectra from TDDFT and machine learning in chemical space, R. Ramakrishnan, M. Hartmann, E. Tapavicza, O. A. von Lilienfeld, J. Phys. Chem., 143, 084111 (2015)

Screen Shot 2015-09-16 at 3.51.39 AM



Wilberth Narvaez wins the poster price at the

2015 ACS Southern California Undergraduate Research Conference (SCURC)

in San Diego.

Congratulations Wilberth!


  • Watch the video abstract of our perspective on ab initio non-adiabatic dynamics

E. Tapavicza, G. Bellchambers, J. C. Vincent, F. Furche, Phys. Chem. Chem. Phys. 15 18336 (2013), doi:10.1039/C3CP51514A