Joined March 2018
- Tweets 51
- Following 61
- Followers 44
- Likes 74
3 Photos and videos
Victor Manuel Freixas Lemus retweeted
14 Oct 2024
Hi @LatinXChem, presenting our work “Transient-absorption spectroscopy of dendrimers via nonadiabatic excited-state dynamics simulations” at #LatinXChem24 #LatinXChemComp #Comp089
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Victor Manuel Freixas Lemus retweeted
5 Jun 2024
Just published on @JCIM_JCTC as Editor's choice!
Discover how TDDFT and CASPT2 can join forces to obtain fast and accurate transient absorption spectra.
pubs.acs.org/doi/full/10.102…
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Victor Manuel Freixas Lemus retweeted
10 Apr 2024
Stabilization of Charge-Transfer Excited States in Biological Systems: A Computational Focus on the Special Pair in Photosystem II Reaction Centers | The Journal of Physical Chemistry Letters pubs.acs.org/doi/full/10.102…
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Victor Manuel Freixas Lemus retweeted
6 Jul 2023
Researchers present a method to constrain any collective nuclear motions of interest during molecular dynamics simulations. They show its application to constraint directions of nonadiabatic couplings during nonadiabatic excited state molecular dynamics.
go.acs.org/5qP
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Victor Manuel Freixas Lemus retweeted
28 Nov 2022
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
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Victor Manuel Freixas Lemus retweeted
28 Nov 2022
Hi @LatinXChem, my name is Hassiel. I'm doing my doctorate at the National University of Quilmes (UNQ), and this is my work ‘Photoinduced dynamics with constrained vibrational motion: FrozeNM algorithm’, #LatinXChem22 #LXChemComp #Comp078
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28 Nov 2022
Hi @LatinXChem! I’m happy to share our research on the Infinitene molecule. We used the NEXMD software package to simulate the non-adiabatic excited state molecular dynamics taking place after photoexcitation and explore the relaxation pathways. #LatinXChem22 #LXChemPhys #Phys78
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28 Nov 2022
This animation shows the intriguing ‘figure eight’ topology.
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Victor Manuel Freixas Lemus retweeted
6 Oct 2022
Computational insights of Infinitene's non-adiabatic excited state dynamics performed with NEXMD software package reveals vibronic energy transfer pathways. @sfalberti
go.acs.org/2oy
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Victor Manuel Freixas Lemus retweeted
5 Feb 2022
Vibronic relaxation of perylene diimide is analyzed using non-adiabatic excited-state molecular dynamics simulations. The photoexcited electronic wavefunction periodically swaps between localizations on two sides dictated by two normal modes. @sfalberti
go.acs.org/iR
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Victor Manuel Freixas Lemus retweeted
16 Jan 2022
May I invite you to a fun thread about a delightful quirk of relativity theory? Starting with a simple fact about rotations, I’ll hope to give you some intuition about something that’s considered wildly counterintuitive: velocity addition. Intrigued? Buckle up!
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Victor Manuel Freixas Lemus retweeted
21 Sep 2021
[ASAP] Excitation Energy Transfer between bodipy Dyes in a Symmetric Molecular Excitonic Seesaw j.mp/3ECdZ7D #chemicalphysics
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Victor Manuel Freixas Lemus retweeted
20 May 2021
[ASAP] An Ab Initio Multiple Cloning Method for Non-Adiabatic Excited-State Molecular Dynamics in NWChem j.mp/2ShfWTy
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Victor Manuel Freixas Lemus retweeted
18 Mar 2021
[ASAP] Nonadiabatic Excited-State Molecular Dynamics Methodologies: Comparison and Convergence j.mp/3s3b6Gk #chemicalphysics
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Victor Manuel Freixas Lemus retweeted
2 Mar 2021
Yet another reason why X-ray TRUECARS is so powerful in detecting molecular coherences: It even works in organic chromophores (>100 Atoms) with photovoltaic merit, where decoherence is a serious obstacle.
Check it out:
doi.org/10.1039/D0SC06328B
#compchem @vmfreixas @sfalberti
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Victor Manuel Freixas Lemus retweeted
17 Nov 2020
[ASAP] Photoinduced Dynamics with Constrained Vibrational Motion: FrozeNM Algorithm j.mp/35COmUW
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Victor Manuel Freixas Lemus retweeted
16 Nov 2020
This Thursday (Nov 19), #VistaTalks speakers are
Sergei Tretiak (Los Alamos) and Ksenia Komarova (Jerusalem).
9:30 New York / 15:30 Paris / 22:30 Beijing.
More info:
quantum-dynamics-hub.github.…
#CompChem
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Victor Manuel Freixas Lemus retweeted
10 Oct 2020
Today we ushered our brand new soft X-ray beam into the first LCLS-II era instrument! At TMO, scientists will investigate, at the quantum level, phenomena at the heart of photosynthesis, quantum computing, and the forming and breaking of bonds governing all chemical reactions.
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Victor Manuel Freixas Lemus retweeted
5 Oct 2020
Don't miss the #VistaTalks. This Thursday we have:
* Sebastian Fernandez-Alberti
* Dibyajyoti Ghosh
October 8, 2020, 9:30 - 11:00 am EDT / 1:30 - 3:00 pm GMT
More info: quantum-dynamics-hub.github.…
@AkimovLab
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