Tavernelli I - Search Results

1

Hardware-tailored diagonalization circuits.

Miller D, Fischer LE, Levi K, Kuehnke EJ, Sokolov IO, Barkoutsos PK, Eisert J, Tavernelli I. Miller D, et al. Among authors: tavernelli i. npj Quantum Inf. 2024;10(1):122. doi: 10.1038/s41534-024-00901-1. Epub 2024 Nov 21. npj Quantum Inf. 2024. PMID: 39583244 Free PMC article.

2

Quantum equilibration of the double-proton transfer in a model system porphine.

Albareda G , Riera A , González M , Bofill JM , Moreira IPR , Valero R , Tavernelli I . Albareda G , et al. Among authors: tavernelli i. Phys Chem Chem Phys. 2020 Oct 15;22(39):22332-22341. doi: 10.1039/d0cp02991b. Phys Chem Chem Phys. 2020. PMID: 33020767

3

Dispersion Corrected Atom-Centered Potentials for Phosphorus.

Cascella M, Lin IC, Tavernelli I, Rothlisberger U. Cascella M, et al. Among authors: tavernelli i. J Chem Theory Comput. 2009 Nov 10;5(11):2930-4. doi: 10.1021/ct9003756. J Chem Theory Comput. 2009. PMID: 26609974

4

Generalized QM/MM Force Matching Approach Applied to the 11-cis Protonated Schiff Base Chromophore of Rhodopsin.

Doemer M, Maurer P, Campomanes P, Tavernelli I, Rothlisberger U. Doemer M, et al. Among authors: tavernelli i. J Chem Theory Comput. 2014 Jan 14;10(1):412-22. doi: 10.1021/ct400697n. Epub 2013 Nov 18. J Chem Theory Comput. 2014. PMID: 26579920

5

Dye-sensitized solar cells with 13% efficiency achieved through the molecular engineering of porphyrin sensitizers.

Mathew S, Yella A, Gao P, Humphry-Baker R, Curchod BF, Ashari-Astani N, Tavernelli I, Rothlisberger U, Nazeeruddin MK, Grätzel M. Mathew S, et al. Among authors: tavernelli i. Nat Chem. 2014 Mar;6(3):242-7. doi: 10.1038/nchem.1861. Epub 2014 Feb 2. Nat Chem. 2014. PMID: 24557140 Free article.

6

Structure and Dynamics of Liquid Water from ab Initio Molecular Dynamics-Comparison of BLYP, PBE, and revPBE Density Functionals with and without van der Waals Corrections.

Lin IC, Seitsonen AP, Tavernelli I, Rothlisberger U. Lin IC, et al. Among authors: tavernelli i. J Chem Theory Comput. 2012 Oct 9;8(10):3902-10. doi: 10.1021/ct3001848. Epub 2012 Jun 22. J Chem Theory Comput. 2012. PMID: 26593030

7

Photooxidation and photoaquation of iron hexacyanide in aqueous solution: A picosecond X-ray absorption study.

Reinhard M, Penfold TJ, Lima FA, Rittmann J, Rittmann-Frank MH, Abela R, Tavernelli I, Rothlisberger U, Milne CJ, Chergui M. Reinhard M, et al. Among authors: tavernelli i. Struct Dyn. 2014 Apr 17;1(2):024901. doi: 10.1063/1.4871751. eCollection 2014 Mar. Struct Dyn. 2014. PMID: 26798775 Free PMC article.

8

Weakly Bonded Complexes of Aliphatic and Aromatic Carbon Compounds Described with Dispersion Corrected Density Functional Theory.

Tapavicza E, Lin IC, von Lilienfeld OA, Tavernelli I, Coutinho-Neto MD, Rothlisberger U. Tapavicza E, et al. Among authors: tavernelli i. J Chem Theory Comput. 2007 Sep;3(5):1673-9. doi: 10.1021/ct700049s. J Chem Theory Comput. 2007. PMID: 26627613

9

Nonadiabatic dynamics with intersystem crossings: A time-dependent density functional theory implementation.

Franco de Carvalho F, Tavernelli I. Franco de Carvalho F, et al. Among authors: tavernelli i. J Chem Phys. 2015 Dec 14;143(22):224105. doi: 10.1063/1.4936864. J Chem Phys. 2015. PMID: 26671356

10

Rhodopsin Absorption from First Principles: Bypassing Common Pitfalls.

Valsson O, Campomanes P, Tavernelli I, Rothlisberger U, Filippi C. Valsson O, et al. Among authors: tavernelli i. J Chem Theory Comput. 2013 May 14;9(5):2441-54. doi: 10.1021/ct3010408. Epub 2013 Apr 2. J Chem Theory Comput. 2013. PMID: 26583734

Save citations to file

Email citations

Send citations to clipboard

Add to Collections

Add to My Bibliography

Create a file for external citation management software

Your saved search

Your RSS Feed

My Custom Filters

Publication date

Text availability

Article attribute

Article type

Article Language

Species

Sex

Age

Other

126 results

Search Page

Filters