Firefly Quantum Chemistry Software

Firefly is a free high performance ab initio and DFT computational chemistry software.
#TheoChem #CompChem

[QPD_Lab @QPD_Lab]

Mode-Specific Photoresponse of Retinal Protonated Schiff Base Isomers in the Reversible Photochromic Reactions of Microbial and Animal Rhodopsins | The Journal of Physical Chemistry B https://t.co/AMxYaGT0Z1
@QPD_Lab @FireflyQuantum @JPhysChem

[QPD_Lab @QPD_Lab]

Enhancing Two-Photon Absorption of Green Fluorescent Protein by Quantum Entanglement | The Journal of Physical Chemistry B https://t.co/zTsKclCjGp
@QPD_Lab @FireflyQuantum @JPhysChem

[QPD_Lab @QPD_Lab]

Excited to share our paper on disclosing the wavelength-dependent interplay between nuclei and electrons in the photoresponse of cold GFP chromophore anions https://t.co/UWnIUeuQUm just published in @JPhysChem Letters! A great collaboration with @AarhusUni. @FireflyQuantum

[QPD_Lab @QPD_Lab]

Impact of the Protein Environment on Two-Photon Absorption Cross-Sections of the GFP Chromophore Anion Resolved at the XMCQDPT2 Level of Theory is now published in Int. J. Mol. Sci. @MDPIOpenAccess!  https://t.co/LzvKbzqfdA @FireflyQuantum

[QPD_Lab @QPD_Lab]

Excited to share our paper 'Accurate Vertical Electron Detachment Energies and Multiphoton Resonant Photoelectron Spectra of Biochromophore Anions in Aqueous Solution' just published in @jctc_papers. https://t.co/xfFbb7sbms
@FireflyQuantum

[Firefly Quantum Chemistry Software @FireflyQuantum]

Firefly helps to uncover the mechanisms of photo-induced electron transfer from the GFP chromophore in aqueous solution. Congrats @QPD_Lab and @FieldingGrpUCL!

[QPD_Lab @QPD_Lab]

Our joint paper with @FieldingGrpUCL on Liquid-microjet photoelectron spectroscopy of the Green Fluorescent Protein chromophore has been published in @NatureComms! @MSU_1755 @UCLChemistry @FireflyQuantum https://t.co/m8j54oOkxB

[Firefly Quantum Chemistry Software @FireflyQuantum]

New JACS paper on molecular motors with quantum chemistry calculations performed using @FireflyQuantum !

[QPD_Lab @QPD_Lab]

Our paper 'Light Driven Ultrafast Bioinspired Molecular Motors: Steering and Accelerating Photoisomerization Dynamics of Retinal' has been published in @J_A_C_S ! https://t.co/KhxCnwF9FX
= @FireflyQuantum @MSU_1755 @AarhusUni =

[Firefly Quantum Chemistry Software @FireflyQuantum]

Congratulations to Dr. Bochenkova with the new paper in J. Phys. Chem. Lett.!

[QPD_Lab @QPD_Lab]

Our paper 'Insights into the Early-Time Excited-State Dynamics of Structurally Inhomogeneous Rhodopsin KR2' has been published in J. Phys. Chem. Lett. @JPhysChem! @MSU_1755 @FireflyQuantum https://t.co/dJAAoYqJ39

[Firefly Quantum Chemistry Software @FireflyQuantum]

Congrats to J Langeland NW Persen E Gruber HV Kiefer AM Kabylda AV Bochenkova and LH Andersen with their recently published paper Controlling Light‐Induced Proton Transfer from the GFP Chromophore https://t.co/VdE3uVAiLj

[Firefly Quantum Chemistry Software @FireflyQuantum]

Congrats to RR Valiev, RT Nasibullin, VN Cherepanov, A Kurtsevich, D Sundholm and T Kurténa with recently published "Fast estimation of the internal conversion rate constant in photophysical applications"

Phys. Chem. Chem. Phys., 2021, Advance Article;

DOI: 10.1039/D1CP00257K

[QPD_Lab @QPD_Lab]

Our paper 'Controlling light‐induced proton transfer from the GFP chromophore' is published in @ChemPhysChem! 🙂@FireflyQuantum @MSU_1755 @AarhusUni https://t.co/8TevWNkk3w

[Veinardi Suendo @VSuendo]

@FireflyQuantum Revealing the Real Size of a Porphyrin Molecule with Quantum Confinement Probing via Temperature-Dependent Photoluminescence Spectroscopy https://t.co/TXskOqwWUE

[Firefly Quantum Chemistry Software @FireflyQuantum]

If you have recently published a paper citing Firefly, we encourage you to send a 100-word summary with a link to your publication together with a high-resolution image that
demonstrates the novelty of your paper to [email protected]

[Firefly Quantum Chemistry Software @FireflyQuantum]

Dear Firefly users,

We are happy to announce that Firefly is now on Twitter!