Danillo Valverde
@DanilloValverde
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Research Assistant @UMONSnews. Postdoc @Unamur. PhD @usponline. Photophysics, nonadiabatic dynamics, multireference methods, solvation effects 🇧🇷🇧🇪
Namur, Belgium
Joined December 2010
RT @GaRic95: Check out our latest publication in JPCL @ACS4Authors on a reduced-dimensionality quantum dynamics approach to accelerate the…
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Interested in photoclivage and photo-fries mechanism? Check out our latest paper published in J. Comput. Chem. Congratulations to @ney_beal, Paulo and Antonio #photochemistry #compchem
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RT @GroupQuintana: #retweet Join our group Fall 2025! Projects: method development for drug design, ML, and MD simulations. Candidates wit…
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Check out our latest paper on the search for the best double-hybrid functional to predict the singlet-triplet energy gap in INVEST molecules published in @JPhysChem. Congrats to Amel, Yoann, and Juan Carlos. #compchem
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@StephanyOrTeALa Hi Stephany. Nice work! I have a question. How many structure did you generate after the molecular docking. How long did you propagate the simulation?
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@MarciaC18 @LatinXChem @Cobo_Uniandes @CienciasUAndes @giampijumpi Hi Marcia. Cool work! How did you select the dataset? Are the algorithms supervised or not?
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@lunamgcg @LatinXChem Hi Guadalupe. Nice work! Can you explain more in detail the association rules?
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@ambf08 @LatinXChem @ifimacuam @RubenperezUam @whoratz Hi @ambf08 nice work! I have a question. In the distance analysis (Fig. 4), there is an increase in the distance between the center of mass of groups 1 and 2 after 200 ns in both delta and omicron variants. What could be the reason for this?
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@Julin92897164 @LatinXChem Hi Julián. It is a nice work! What was the level of theory that you used to compute the electronic density? Did you take into account the environmental effects? Can you also explain a little bit more on the docking part?
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@Shubham68164545 @LatinXChem @CisnerosRes @_jnochebuena Thanks @Shubham68164545 for the info. Just curious, how long did these simulations take?
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@VivianaAcevedo_ @LatinXChem @HectorFabioCo19 @StephanyOrTeALa @GustavoCC98 Hi Viviana. Great work! If I understood well you optimized several isomers at the wb97xd/6-311++G(d,p) level, but did you include some environmental effects in these calculations? Which structure do you use for molecular docking simulations?
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RT @CCrespo2012: Another work is out in collaboration with Danillo Valverde and Antonio Carlos Borin. The Electronic Relaxation Mechanisms…
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RT @theo_chem: Want to join us in Vienna? 🇦🇹 Want to develop methods for excited states? ☀️🦈 Or rather do computational work in collaborat…
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RT @LudoTroian: Our recent collaborative work on factors Controlling Cage Escape Yields of Closed- and Open-Shell Metal Complexes in Bimole…
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RT @Chitel2024: THANK YOU EVERYONE for this incredible week, the wonderful talks, the discussions, and the rest. We wish you a good trip ba…
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RT @tarciusnramos: @Chitel2024 já começou em Namur. Ótimo reencontrar grandes amigos. @DanilloValverde @VieiraManzoni @SCanuto2 @RodrigoGes…
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RT @LudoTroian: First time posting a preprint but thought it would be important to share our new work on Factors Controlling Cage Escape Yi…
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