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Journal of Chemical Theory and Computation
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September 4, 2023
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds
David Carrasco-Busturia, Jógvan Magnus Haugaard Olsen
Journal of Chemical Theory and Computation
|
January 6, 2026
Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods
David Carrasco-Busturia, Mathieu Linares, Patrick Norman, et al.
The Journal of Chemical Physics
|
July 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, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
Polarizable Embedding without Artificial Boundary Polarization
Sonata Kvedaravičiūtė, David Carrasco-Busturia, Klaus B Møller, et al.
The Journal of Physical Chemistry. A
|
July 18, 2025
Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach
Jonas Vester, David Carrasco-Busturia, Kenneth Ruud, et al.
Current Opinion in Structural Biology
|
April 30, 2024
Multiscale biomolecular simulations in the exascale era
David Carrasco-Busturia, Emiliano Ippoliti, Simone Meloni, et al.
Chemsuschem
|
March 8, 2021
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, et al.
Chemsuschem
|
April 14, 2021
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2024
Electron-vibrational renormalization in fullerenes through <i>ab initio</i> and machine learning methods
Pablo García-Risueño, Eva Armengol, Àngel García-Cerdaña, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 31, 2022
Pressure Effects on 3d<sup>n</sup> (n=4, 9) Insulating Compounds: Long Axis Switch in Na<sub>3</sub> MnF<sub>6</sub> not Due to the Jahn-Teller Effect
Inés Sánchez-Movellán, David Carrasco-Busturia, Juan M García-Lastra, et al.
Page
of 2
Search research articles
Search
Showing results (1-10 of 16) with videos related to
Sort By:
Page
of 2
Journal of Chemical Theory and Computation
|
September 4, 2023
Polarizable Embedding Potentials through Molecular Fractionation with Conjugate Caps Including Hydrogen Bonds
David Carrasco-Busturia, Jógvan Magnus Haugaard Olsen
Journal of Chemical Theory and Computation
|
January 6, 2026
Multiphoton Absorption Spectra of Channelrhodopsin-2 via Multiscale Simulation Methods
David Carrasco-Busturia, Mathieu Linares, Patrick Norman, et al.
The Journal of Chemical Physics
|
July 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, et al.
Journal of Chemical Theory and Computation
|
July 17, 2023
Polarizable Embedding without Artificial Boundary Polarization
Sonata Kvedaravičiūtė, David Carrasco-Busturia, Klaus B Møller, et al.
The Journal of Physical Chemistry. A
|
July 18, 2025
Workflow for Harmonic IR and Raman Spectra of Embedded Systems: The PE-QM Approach
Jonas Vester, David Carrasco-Busturia, Kenneth Ruud, et al.
Current Opinion in Structural Biology
|
April 30, 2024
Multiscale biomolecular simulations in the exascale era
David Carrasco-Busturia, Emiliano Ippoliti, Simone Meloni, et al.
Chemsuschem
|
March 8, 2021
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, et al.
Chemsuschem
|
April 14, 2021
Ab initio Molecular Dynamics Investigations of the Speciation and Reactivity of Deep Eutectic Electrolytes in Aluminum Batteries
David Carrasco-Busturia, Steen Lysgaard, Piotr Jankowski, et al.
Physical Chemistry Chemical Physics : PCCP
|
July 10, 2024
Electron-vibrational renormalization in fullerenes through <i>ab initio</i> and machine learning methods
Pablo García-Risueño, Eva Armengol, Àngel García-Cerdaña, et al.
Chemistry (Weinheim an Der Bergstrasse, Germany)
|
May 31, 2022
Pressure Effects on 3d<sup>n</sup> (n=4, 9) Insulating Compounds: Long Axis Switch in Na<sub>3</sub> MnF<sub>6</sub> not Due to the Jahn-Teller Effect
Inés Sánchez-Movellán, David Carrasco-Busturia, Juan M García-Lastra, et al.
Page
of 2