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Author

  • C. Filippi
2019

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 journalArticleAcademicpeer-review

Open Access
File
4 Citations (Scopus)
13 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 journalArticleAcademicpeer-review

Open Access
File
6 Citations (Scopus)

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 journalArticleAcademicpeer-review

2 Citations (Scopus)
2017

Exciting the building blocks of organic solar cells

Dash, M. & Filippi, C., 17 Jan 2017, p. -.

Research output: Contribution to conferencePoster

Optimizing the energy with quantum Monte Carlo: A lower numerical scaling for Jastrow-Slater expansions

Assaraf, R., Moroni, S. & Filippi, C., 5 Sep 2017, In : Journal of chemical theory and computation. 13, 11, p. 5273-5281 9 p., 13.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
13 Citations (Scopus)
56 Downloads (Pure)
2016

Electrostatic versus resonance interactions in photoreceptor proteins: The case of rhodopsin

Guareschi, R., Valsson, O., Curutchet, C., Mennucci, B. & Filippi, C., 2016, In : Journal of physical chemistry letters. 7, 22, p. 4547-4553 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

17 Citations (Scopus)

Exciting the building blocks of organic solar cells

Dash, M., Briels, W. J. & Filippi, C., 11 Oct 2016, p. -.

Research output: Contribution to conferencePoster

Exciting the building blocks of organic solar cells

Dash, M., Briels, W. J. & Filippi, C., 6 Dec 2016, p. -.

Research output: Contribution to conferencePoster

Introducing QMC/MMpol: Quantum Monte Carlo in polarizable force fields for excited states

Guareschi, R., Zulfikri, H., Daday, C., Floris, F. M., Amovilli, C., Mennucci, B. & Filippi, C., 2016, In : Journal of chemical theory and computation. 12, 4, p. 1674-1683

Research output: Contribution to journalArticleAcademicpeer-review

16 Citations (Scopus)

Local multi-resonance description of excited states in quantum Monte Carlo

Zulfikri, H. & Filippi, C., 28 Aug 2016, p. -.

Research output: Contribution to conferencePoster

Multiple-resonance local wave functions for accurate excited states in quantum Monte Carlo

Zulfikri, H., Amovilli, C. & Filippi, C., 2016, In : Journal of chemical theory and computation. 12, 3, p. 1157-1168 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

6 Citations (Scopus)
1 Downloads (Pure)

Multiscale modeling of photoreceptor proteins: Squeezing blood from stones

Zulfikri, H., Guareschi, R. & Filippi, C., 26 Sep 2016, p. -.

Research output: Contribution to conferencePoster

Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo

Filippi, C., Assaraf, R. & Moroni, S., 2016, In : Journal of chemical physics. 144, 194105, p. 194105- 194105.

Research output: Contribution to journalArticleAcademicpeer-review

19 Citations (Scopus)

Strategies for computing excited states of large molecules in quantum Monte Carlo

Zulfikri, H. & Filippi, C., 11 Sep 2016, p. -.

Research output: Contribution to conferencePoster

2015

Chromophore-protein coupling beyond nonpolarizable models: understanding absorption in green fluorescent protein

Daday, C., Curutchet, C., Sinicropi, A., Mennucci, B. & Filippi, C., 2015, In : Journal of chemical theory and computation. 11, 10, p. 4825-4839 14 p.

Research output: Contribution to journalArticleAcademicpeer-review

46 Citations (Scopus)

Linear-scaling local wave functions for ground and excited states in quantum Monte Carlo: A route to large biomolecules

Zulfikri, H., Amovilli, C. & Filippi, C., 8 Jun 2015, p. -.

Research output: Contribution to conferencePoster

Modeling excited states in complex environments: Solving a polarizing

Guareschi, R., Daday, C., Zulfikri, H. & Filippi, C., 28 Sep 2015, p. -.

Research output: Contribution to conferencePoster

Multiple Lewis Resonance Structures for Accurate Excited-States in Quantum Monte Carlo

Zulfikri, H., Amovilli, C. & Filippi, C., 14 Dec 2015, p. -.

Research output: Contribution to conferencePoster

Multiple Lewis Resonance Structures for Accurate Excited-States in Quantum Monte Carlo

Zulfikri, H., Amovilli, C. & Filippi, C., 1 Dec 2015, p. -.

Research output: Contribution to conferencePoster

Quantum Monte Carlo with polarizable force fields (QMC/MMpol) for excited states in complex environments

Guareschi, R., Daday, C., Zulfikri, H., Amovilli, C., Floris, F. M. & Filippi, C., 8 Jun 2015, p. -.

Research output: Contribution to conferencePoster

Regarding the use and misuse of retinal protonated Schiff base photochemistry as a test case for time-dependent density-functional theory

Valsson, O., Filippi, C. & Casida, M. E., 2015, In : Journal of chemical physics. 142, 144104, p. 144104- 13 p., 144104.

Research output: Contribution to journalArticleAcademicpeer-review

12 Citations (Scopus)

Why is green fluorescent protein (not) green? A multiscale excited-state study

Daday, C., Sinicropi, A., Curutchet, C., Neugebauer, J. & Filippi, C., 9 Mar 2015, p. -.

Research output: Contribution to conferencePoster

2014

Electronic excitations in a dielectric continuum solvent with quantum Monte Carlo: Acrolein in water

Floris, F. M., Filippi, C. & Amovilli, C., 2014, In : Journal of chemical physics. 140, p. 034109/1-034109/9 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

11 Citations (Scopus)

Multi-level quantum monte Carlo wave functions for complex reactions: The decomposition of α-hydroxy-dimethylnitrosamine

Fracchia, F., Filippi, C. & Amovilli, C., 2014, In : Journal of computational chemistry. 35, 1, p. 30-38 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

4 Citations (Scopus)

Practical schemes for accurate forces in quantum Monte Carlo

Moroni, S., Saccani, S. & Filippi, C., 2014, In : Journal of chemical theory and computation. 20, p. 4823-4829 7 p.

Research output: Contribution to journalArticleAcademicpeer-review

11 Citations (Scopus)
1 Downloads (Pure)

Solvent effects on excited-state structures: A quantum Monte Carlo and density functional study

Guareschi, R., Floris, F. M., Amovilli, C. & Filippi, C., 2014, In : Journal of chemical theory and computation. 10, p. 5528-5537 10 p.

Research output: Contribution to journalArticleAcademicpeer-review

9 Citations (Scopus)

Wavefunction-in-density functional theory embedding for excited states: Which wavefunctions, which densities?

Daday, C., König, C., Neugebauer, J. & Filippi, C., 2014, In : ChemPhysChem. 15, p. 3205-3217 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

11 Citations (Scopus)
2013

Barrier heights in quantum Monte Carlo with linear-scaling generalized-valence-bond wave functions

Fracchia, F., Filippi, C. & Amovilli, C., 10 Jul 2013, In : Journal of chemical theory and computation. 9, 8, p. 3453-3462 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

13 Citations (Scopus)

Cracking the case of spectral tuning in fluorescent proteins

Daday, C., Valsson, O., Sinicropi, A., Filippi, C., König, C. & Neugebauer, J., 16 Sep 2013.

Research output: Contribution to conferencePoster

Differential polarization effects with wave function/DFT embedding for excited states

Daday, C., Valsson, O., Filippi, C., König, C. & Neugebauer, J., 8 Oct 2013.

Research output: Contribution to conferencePoster

Differential polarization effects with wave function/DFT embedding for excited states

Daday, C., Neugebauer, J. & Filippi, C., 10 Jan 2013.

Research output: Contribution to conferencePoster

Ground- and excited-state geometry optimization of small organic molecules with quantum Monte Carlo

Guareschi, R. & Filippi, C., 2013, In : Journal of chemical theory and computation. 9, 12, p. 5513-5525 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

31 Citations (Scopus)

Minimum energy pathways via quantum Monte Carlo

Saccani, S., Filippi, C. & Moroni, S., 28 Feb 2013, In : Journal of chemical physics. 138, 8, 5 p., 084109.

Research output: Contribution to journalArticleAcademicpeer-review

Open Access
File
13 Citations (Scopus)
29 Downloads (Pure)

Optimal excited-state geometries of small organic molecules with QMC

Guareschi, R. & Filippi, C., 26 Aug 2013, p. -.

Research output: Contribution to conferencePoster

Optimal excited-state geometries of small organic molecules with QMC

Guareschi, R. & Filippi, C., 8 Oct 2013, p. -.

Research output: Contribution to conferencePoster

Rhodopsin absorption from first principles: Bypassing common pitfalls

Valsson, O., Campomanes, P., Tavernelli, I., Rothlisberger, U. & Filippi, C., 13 Mar 2013, In : Journal of chemical theory and computation. 9, 5, p. 2441-2454 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

58 Citations (Scopus)

Sate-specific embedding potentials for excitation-energy calculations

Daday, C., Konig, C., Valsson, O., Neugebauer, J. & Filippi, C., 27 Mar 2013, In : Journal of chemical theory and computation. 9, 5, p. 2355-2367 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

47 Citations (Scopus)
2012

A density functional and quantum Monte Carlo study of glutamic acid in vacuo and in a dielectric continuum medium

Floris, F., Filippi, C. & Amovilli, C., 2012, In : Journal of chemical physics. 137, 7, p. 075102-1-075102-12 12 p., 075102.

Research output: Contribution to journalArticleAcademicpeer-review

10 Citations (Scopus)

Bathochromic Shift in Green Fluorescent Protein: A Puzzle for QM/MM Approaches

Filippi, C., Buda, F., Guidoni, L. & Sinicropi, A., 2012, In : Journal of chemical theory and computation. 8, 1, p. 112-124 13 p.

Research output: Contribution to journalArticleAcademicpeer-review

66 Citations (Scopus)

Excitation energies of retinal chromophores: Critical role of the structural model

Valsson, O., Angeli, C. & Filippi, C., 2012, In : Physical chemistry chemical physics. 14, 31, p. 11015-11020 6 p.

Research output: Contribution to journalArticleAcademicpeer-review

45 Citations (Scopus)

Full Configuration Interaction excitations of ethene and butadiene: Resolution of an ancient question

Daday, C., Smart, S., Booth, G. H., Alavi, A. & Filippi, C., 2012, In : Journal of chemical theory and computation. 8, 11, p. 4441-4451 11 p.

Research output: Contribution to journalArticleAcademicpeer-review

48 Citations (Scopus)

Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage

Valsson, O. & Filippi, C., 2012, In : Journal of physical chemistry letters. 3, 7, p. 908-912 5 p.

Research output: Contribution to journalArticleAcademicpeer-review

18 Citations (Scopus)

Multiscale modelling of photosensitive systems in a new light

Daday, C. & Filippi, C., 18 Sep 2012, p. -.

Research output: Contribution to conferencePoster

Size-extensive wave functions for quantum Monte Carlo: A linear scaling generalized valence bond approach

Fracchia, F., Filippi, C. & Amovilli, C., 2012, In : Journal of chemical theory and computation. 8, 6, p. 1943-1951 9 p.

Research output: Contribution to journalArticleAcademicpeer-review

28 Citations (Scopus)
2011

\Color vision from first principles

Valsson, O. & Filippi, C., 27 Sep 2011, p. -.

Research output: Contribution to conferencePoster

Color tuning of retinal chromophore by Rhodopsin protein environment

Valsson, O. & Filippi, C., 14 Mar 2011, p. -.

Research output: Contribution to conferencePoster

Color vision from first principles

Valsson, O. & Filippi, C., 28 Nov 2011, p. -.

Research output: Contribution to conferencePoster

Electronic excitations of simple cyanine dyes: Reconciling density functional and wave function methods

Send, R., Valsson, O. & Filippi, C., 2011, In : Journal of chemical theory and computation. 7, p. 444-455 12 p.

Research output: Contribution to journalArticleAcademicpeer-review

Electronic Excitations of Simple Cyanine Dyes: Reconciling Density Functional and Wave Function Methods

Send, R., Valsson, O. & Filippi, C., 2011, In : Journal of chemical theory and computation. 7, 2, p. 444-455

Research output: Contribution to journalArticleAcademic

94 Citations (Scopus)