David Carrasco-Busturia

15PUBLICATIONS
52CO-AUTHORS
Photovoltaic power systemsCheminformatics and quantitative structure-activity relationshipsProgramming languagesChemical thermodynamics and energeticsIntegrable systems (classical and quantum)
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Publications (15)

|Jan 06, 2026
Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods.

David Carrasco-Busturia, Mathieu Linares, Patrick Norman

|Dec 14, 2025
In silico docking yields small molecule negative allosteric modulators targeting the core of Frizzled 7.

Magdalena M Scharf, Julia Kinsolving, Lukas Grätz

|Aug 04, 2025
VeloxChem Quantum-Classical Interoperability for Modeling of Complex Molecular Systems.

Juan Angel de Gracia Triviño, Iulia Emilia Brumboiu, David Carrasco-Busturia

|Jul 21, 2025
Large scale simulations of a detailed molecular model of seawater: Ionic conductivity and diffusion coefficients of CO2.

Miguel A Gonzalez, David Carrasco-Busturia, Carlos Vega

|Jul 18, 2025
Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach.

Jonas Vester, David Carrasco-Busturia, Kenneth Ruud

|Jul 11, 2024
MiMiC: A high-performance framework for multiscale molecular dynamics simulations.

Andrej Antalík, Andrea Levy, Sonata Kvedaravičiūtė

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