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The Journal of Physical Chemistry. B
|
April 11, 2013
Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length
Mariana Rossi, Matthias Scheffler, Volker Blum
The Journal of Chemical Physics
|
March 17, 2018
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Mariana Rossi, Venkat Kapil, Michele Ceriotti
Npj Computational Materials
|
October 16, 2025
Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar model
Elia Stocco, Christian Carbogno, Mariana Rossi
Ciencia & Saude Coletiva
|
October 27, 2018
[Between support and control: the intersectorial coordination of services networks]
Mariana Rossi Avelar, Ana Paula Serrata Malfitano
The Journal of Chemical Physics
|
June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamics
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Physical Chemistry Letters
|
July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
July 5, 2023
Predicting the electronic density response of condensed-phase systems to electric field perturbations
Alan M Lewis, Paolo Lazzaroni, Mariana Rossi
Journal of Chemical Theory and Computation
|
September 19, 2019
Assessment of Approximate Methods for Anharmonic Free Energies
Venkat Kapil, Edgar Engel, Mariana Rossi, et al.
The Journal of Chemical Physics
|
November 24, 2025
Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics
Jorge Castro, George Trenins, Venkat Kapil, et al.
The Journal of Physical Chemistry. A
|
January 11, 2014
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)
Mariana Rossi, Sucismita Chutia, Matthias Scheffler, et al.
Page
of 7
Search research articles
Search
Showing results (11-20 of 65) with videos related to
Sort By:
Page
of 7
The Journal of Physical Chemistry. B
|
April 11, 2013
Impact of vibrational entropy on the stability of unsolvated peptide helices with increasing length
Mariana Rossi, Matthias Scheffler, Volker Blum
The Journal of Chemical Physics
|
March 17, 2018
Fine tuning classical and quantum molecular dynamics using a generalized Langevin equation
Mariana Rossi, Venkat Kapil, Michele Ceriotti
Npj Computational Materials
|
October 16, 2025
Electric-field driven nuclear dynamics of liquids and solids from a multi-valued machine-learned dipolar model
Elia Stocco, Christian Carbogno, Mariana Rossi
Ciencia & Saude Coletiva
|
October 27, 2018
[Between support and control: the intersectorial coordination of services networks]
Mariana Rossi Avelar, Ana Paula Serrata Malfitano
The Journal of Chemical Physics
|
June 23, 2014
How to remove the spurious resonances from ring polymer molecular dynamics
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Physical Chemistry Letters
|
July 22, 2016
Nuclear Quantum Effects in H(+) and OH(-) Diffusion along Confined Water Wires
Mariana Rossi, Michele Ceriotti, David E Manolopoulos
The Journal of Chemical Physics
|
July 5, 2023
Predicting the electronic density response of condensed-phase systems to electric field perturbations
Alan M Lewis, Paolo Lazzaroni, Mariana Rossi
Journal of Chemical Theory and Computation
|
September 19, 2019
Assessment of Approximate Methods for Anharmonic Free Energies
Venkat Kapil, Edgar Engel, Mariana Rossi, et al.
The Journal of Chemical Physics
|
November 24, 2025
Vibrational spectra of materials and molecules from partially adiabatic elevated-temperature centroid molecular dynamics
Jorge Castro, George Trenins, Venkat Kapil, et al.
The Journal of Physical Chemistry. A
|
January 11, 2014
Validation challenge of density-functional theory for peptides-example of Ac-Phe-Ala5-LysH(+)
Mariana Rossi, Sucismita Chutia, Matthias Scheffler, et al.
Page
of 7