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
@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 ❤️
@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.
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
@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.
@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
@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