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The Journal of Chemical Physics
|
September 30, 2025
Machine learning accelerates Raman computations from molecular dynamics for materials science
David A Egger, Manuel Grumet, Tomáš Bučko
The Journal of Chemical Physics
|
April 1, 2024
Temperature-transferable tight-binding model using a hybrid-orbital basis
Martin Schwade, Maximilian J Schilcher, Christian Reverón Baecker, et al.
Journal of the American Chemical Society
|
September 18, 2024
Rapid Characterization of Point Defects in Solid-State Ion Conductors Using Raman Spectroscopy, Machine-Learning Force Fields, and Atomic Raman Tensors
Willis O'Leary, Manuel Grumet, Waldemar Kaiser, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2022
Anharmonic Lattice Dynamics in Sodium Ion Conductors
Thomas M Brenner, Manuel Grumet, Paul Till, et al.
Nature Communications
|
May 17, 2024
Disentangling the effects of structure and lone-pair electrons in the lattice dynamics of halide perovskites
Sebastián Caicedo-Dávila, Adi Cohen, Silvia G Motti, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 5) with videos related to
Sort By:
Page
of 1
The Journal of Chemical Physics
|
September 30, 2025
Machine learning accelerates Raman computations from molecular dynamics for materials science
David A Egger, Manuel Grumet, Tomáš Bučko
The Journal of Chemical Physics
|
April 1, 2024
Temperature-transferable tight-binding model using a hybrid-orbital basis
Martin Schwade, Maximilian J Schilcher, Christian Reverón Baecker, et al.
Journal of the American Chemical Society
|
September 18, 2024
Rapid Characterization of Point Defects in Solid-State Ion Conductors Using Raman Spectroscopy, Machine-Learning Force Fields, and Atomic Raman Tensors
Willis O'Leary, Manuel Grumet, Waldemar Kaiser, et al.
The Journal of Physical Chemistry Letters
|
June 22, 2022
Anharmonic Lattice Dynamics in Sodium Ion Conductors
Thomas M Brenner, Manuel Grumet, Paul Till, et al.
Nature Communications
|
May 17, 2024
Disentangling the effects of structure and lone-pair electrons in the lattice dynamics of halide perovskites
Sebastián Caicedo-Dávila, Adi Cohen, Silvia G Motti, et al.
Page
of 1