Daniel Sucerquia
@Sucer6
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PhD student at @HITStudies || Physicist @UdeA. Interested in ab-initio molecular dynamics simulations, enhanced sampling methods and ML. 🇨🇴
Joined August 2019
RT @plumed_org: 📢 New #preprint describing our community effort to share #plumed tutorials ! Explore the tutorials….
arxiv.org
In computational physics, chemistry, and biology, the implementation of new techniques in a shared and open source software lowers barriers to entry and promotes rapid scientific progress....
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RT @HITStudies: Registration for the 2nd SIMPLAIX Workshop on Machine Learning for Multiscale Molecular Modeling (15-17 May 2024) is now op….
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RT @Rebecca_Wade_C: Interested in PhD studies in an interdisciplinary environment (#MolSim #CompChem #Biophysics #DrugDesign) at @HITSstudi….
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RT @BioExcelCoE: Daniel Sucerquia is studying for his Ph.D. at the Heidelberg institute for Theoretical Studies in the Molecular Biomechani….
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RT @BioExcelCoE: Day 5 and last day of the Summer School 😢. The good news is that we announce our three poster prize winners 🏆, who will be….
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RT @BioExcelCoE: The Summer School 2023 comes to an end and we hope it met everyone's expectations. Thank you to all trainers, participant….
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RT @acadcienciacol: Daniel Sucerquia Gaviria, ganador mención de honor en Física premio Shizu y Yu Takeuchi por su tesis: Ab initio Metadyn….
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I am happy to share this review written by my previous advisor Olga Lopez (twitterless) and me. It is about QM/MM applied to study metal-organic systems.
tandfonline.com
A QM/MM method is an atomistic simulation algorithm that allows researchers to describe different regions of a system with different physical laws. Here, we review this hybrid method’s applications...
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RT @MakadiaHarsh: Reliable writing tools: . 1. Writesonic —Instantly rewrite entire articles and paragraphs. 2. Hemingway App —Make your w….
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RT @InnovationChem: J Chem. Phys. Ab initio #metadynamics determination of temperature-dependent #freeenergy landscape in ultrasmall silve….
pubs.aip.org
Ab initio metadynamics enables the extraction of free-energy landscapes having the accuracy of first-principles electronic structure methods. We introduce an in
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In the next link are some instructions and a tutorial to use the interface.
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I'm very happy to share my first paper! This is about our developed interface between ASE and @plumed_org and its application to study small silver clusters using ab-initio WT-MTD. I'm completely grateful to my advisors Olga Lopez and @PilarCossio2.
pubs.aip.org
Ab initio metadynamics enables the extraction of free-energy landscapes having the accuracy of first-principles electronic structure methods. We introduce an in
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RT @ParqueExplora: NIÑAS QUE FUERON GRANDOTAS.#diamujeryninaenciencia . Las niñas de este hilo-homenaje fueron como tú: personas con talent….
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