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Journal of Chemical Theory and Computation
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September 12, 2019
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model
Michele Nottoli, Benjamin Stamm, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
February 8, 2016
A new discretization for the polarizable continuum model within the domain decomposition paradigm
Benjamin Stamm, Eric Cancès, Filippo Lipparini, et al.
Physical Review. E
|
May 20, 2022
Surrogate models for quantum spin systems based on reduced-order modeling
Michael F Herbst, Benjamin Stamm, Stefan Wessel, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding
Stefano Caprasecca, Sandro Jurinovich, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives
Filippo Lipparini, Benjamin Stamm, Eric Cancès, et al.
The Journal of Chemical Physics
|
March 15, 2023
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann method
Abhinav Jha, Michele Nottoli, Aleksandr Mikhalev, et al.
The Journal of Chemical Physics
|
April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculations
Michele Nottoli, Damiano Castrignano', Patrizia Mazzeo, et al.
Physical Review. E
|
September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networks
Paul Brehmer, Michael F Herbst, Stefan Wessel, et al.
The Journal of Chemical Physics
|
October 4, 2018
A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms
Benjamin Stamm, Louis Lagardère, Étienne Polack, et al.
The Journal of Chemical Physics
|
February 18, 2025
Multi-center decomposition of molecular densities: A numerical perspective
YingXing Cheng, Eric Cancès, Virginie Ehrlacher, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 32) with videos related to
Sort By:
Page
of 4
Journal of Chemical Theory and Computation
|
September 12, 2019
Quantum Calculations in Solution of Energies, Structures, and Properties with a Domain Decomposition Polarizable Continuum Model
Michele Nottoli, Benjamin Stamm, Giovanni Scalmani, et al.
The Journal of Chemical Physics
|
February 8, 2016
A new discretization for the polarizable continuum model within the domain decomposition paradigm
Benjamin Stamm, Eric Cancès, Filippo Lipparini, et al.
Physical Review. E
|
May 20, 2022
Surrogate models for quantum spin systems based on reduced-order modeling
Michael F Herbst, Benjamin Stamm, Stefan Wessel, et al.
Journal of Chemical Theory and Computation
|
November 19, 2015
Achieving linear scaling in computational cost for a fully polarizable MM/continuum embedding
Stefano Caprasecca, Sandro Jurinovich, Louis Lagardère, et al.
Journal of Chemical Theory and Computation
|
November 20, 2015
Fast Domain Decomposition Algorithm for Continuum Solvation Models: Energy and First Derivatives
Filippo Lipparini, Benjamin Stamm, Eric Cancès, et al.
The Journal of Chemical Physics
|
March 15, 2023
Linear scaling computation of forces for the domain-decomposition linear Poisson-Boltzmann method
Abhinav Jha, Michele Nottoli, Aleksandr Mikhalev, et al.
The Journal of Chemical Physics
|
April 15, 2026
Making excited state MD faster: Extrapolation of transition densities for TD-DFT calculations
Michele Nottoli, Damiano Castrignano', Patrizia Mazzeo, et al.
Physical Review. E
|
September 19, 2023
Reduced basis surrogates for quantum spin systems based on tensor networks
Paul Brehmer, Michael F Herbst, Stefan Wessel, et al.
The Journal of Chemical Physics
|
October 4, 2018
A coherent derivation of the Ewald summation for arbitrary orders of multipoles: The self-terms
Benjamin Stamm, Louis Lagardère, Étienne Polack, et al.
The Journal of Chemical Physics
|
February 18, 2025
Multi-center decomposition of molecular densities: A numerical perspective
YingXing Cheng, Eric Cancès, Virginie Ehrlacher, et al.
Page
of 4