Research Output per year
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Research Output
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Dash, M., Feldt, J., Moroni, S., Scemama, A. & Filippi, C., 10 Sep 2019, In : Journal of chemical theory and computation. 15, 9, p. 4896-4906 11 p.Research output: Contribution to journal › Article › Academic › peer-review
Open Access
File
2
Citations
(Scopus)
7
Downloads
(Pure)
Taming the complexity of donor-acceptor stenhouse adducts: Infrared motion pictures of the complete switching pathway
Zulfikri, H., Koenis, M. A. J., Lerch, M. M., Di Donato, M., Szymański, W., Filippi, C., Feringa, B. L. & Buma, W. J., 8 May 2019, In : Journal of the American Chemical Society. 141, 18, p. 7376-7384 9 p.Research output: Contribution to journal › Article › Academic › peer-review
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation
Nifosì, R., Mennucci, B. & Filippi, C., 21 Sep 2019, In : Physical chemistry chemical physics. 21, 35, p. 18988-18998 11 p.Research output: Contribution to journal › Article › Academic › peer-review
1
Citation
(Scopus)
Efficient computation of excited states with quantum Monte Carlo
Dash, M. & Filippi, C., 2018.Research output: Contribution to conference › Poster
Finding the key to accurate excited states in quantum Monte Carlo
Cuzzocrea, A., Feldt, J., Moroni, S., Scemama, A. & Filippi, C., 2018.Research output: Contribution to conference › Poster
Activities
Electronic Structure/Multiscale Modelling
Claudia Filippi (Invited speaker)4 Feb 2019
Activity: Talk or presentation › Invited talk
Using the force with quantum Monte Carlo
Claudia Filippi (Invited speaker)28 Nov 2018
Activity: Talk or presentation › Invited talk
Efficient structural and variational optimization in quantum Monte Carlo 16th International Conference of Quantum Chemistry
Claudia Filippi (Invited speaker)19 Jun 2018
Activity: Talk or presentation › Invited talk
Differential polarization effects with wave function/DFT embedding for excited states
Claudia Filippi (Speaker), C. Daday (Contributor), O. Valsson (Contributor), C. König (Contributor), J. Neugebauer (Contributor)24 Mar 2014
Activity: Talk or presentation › Oral presentation
Minimum energy pathways from Quantum Monte Carlo
S. Moroni (Speaker), S. Saccani (Speaker), C. Filippi (Contributor)11 Jan 2013
Activity: Talk or presentation › Oral presentation