Valeria Bonilla 🇨🇴

Chemist from @UNALOficial.

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

Hey @LatinXChem! I present to you my poster for #LatinXChem22. Even though organic solar cells are awesome and could significantly contribute to environmental remediation, many haven't even heard about them. So let's change that :) #LXChemComp #Comp185 #LatinXChem #UNAL

[PCCP @PCCP]

HOT and free to access now: 2023 PCCP HOT Articles. Read them here: https://t.co/BFh8s9ILUa

[PCCP @PCCP]

Meet the winners of the #LatinXChem22 poster prizes for #LXChemPhys and #LXChemComp - read the full article on our blog! 🎉 @LatinXChem

https://t.co/NLUPvzGAcy

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@ACOjedaP @UNALOficial @MincienciasCo Muchas gracias por tu mensaje @ACOjedaP! Muy feliz de poder dar a conocer algo de la investigación que se desarrolla en Colombia y en la Universidad Nacional ❤️

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@SuntheticsML @LatinXChem @UNALOficial Thank you so much @SuntheticsML! Would be incredible to work with you, there is still so much to explore on this topics and so much to learn. ✨

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@RCrespoOtero @LatinXChem Once all the conformations were excited, we proceeded with the NExMD for a total of 100 fs, with a constant energy ensemble, and calculated the transition density matrix every 0.1 fs.

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

Hey @LatinXChem! I present to you my poster for #LatinXChem22. Even though organic solar cells are awesome and could significantly contribute to environmental remediation, many haven't even heard about them. So let's change that :) #LXChemComp #Comp185 #LatinXChem #UNAL

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@RCrespoOtero @LatinXChem A sample of 350 conformations of each system was excited with a simulated laser pulse according to a Franck-Condon window centered around 390 nm. The wavelength was chosen to match experimental data previously measured by other authors.

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@RCrespoOtero @LatinXChem Hello, Rachel! We used a semiclassical approach, with the atoms represented by a classical potential, while electrons were treated with AM1 semiempirical Hamiltonian. To perform all this, we used the NEXMD software package, created by Los Alamos National Laboratory

[Valeria Bonilla 🇨🇴 @Val_BonillaGo]

@FlorentLouis59 @AldoZarbin @LatinXChem This category is just right for my research. I have been working with non-adiabatic molecular dynamics to study organic macromolecules with photovoltaic applications. #LXChemEnv