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Journal of Chemical Theory and Computation
|
February 11, 2021
Stochastic Effective Core Potentials, toward Efficient Quantum Monte Carlo Simulations of Molecules with Large Atomic Numbers
Jonas Feldt, Roland Assaraf
Physical Chemistry Chemical Physics : PCCP
|
June 29, 2022
Stochastic effective core potentials, improving efficiency using a spin-dependent core definition
Jonas Feldt, Antoine Bienvenu, Roland Assaraf
Journal of Chemical Information and Modeling
|
March 13, 2012
Atomdroid: a computational chemistry tool for mobile platforms
Jonas Feldt, Ricardo A Mata, Johannes M Dieterich
Physical Review. E
|
September 16, 2022
Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling
Antoine Bienvenu, Jonas Feldt, Julien Toulouse, et al.
Journal of Chemical Theory and Computation
|
July 27, 2019
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Monika Dash, Jonas Feldt, Saverio Moroni, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2018
Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics
Flip de Jong, Milica Feldt, Jonas Feldt, et al.
The Journal of Physical Chemistry. A
|
May 17, 2012
Study of specific ion-amino acid interactions through the use of local correlation methods
João C A Oliveira, Jonas Feldt, Nuno Galamba, et al.
The Journal of Chemical Physics
|
January 1, 2018
Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program
Jonas Feldt, Sebastião Miranda, Frederico Pratas, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 8) with videos related to
Sort By:
Page
of 1
Journal of Chemical Theory and Computation
|
February 11, 2021
Stochastic Effective Core Potentials, toward Efficient Quantum Monte Carlo Simulations of Molecules with Large Atomic Numbers
Jonas Feldt, Roland Assaraf
Physical Chemistry Chemical Physics : PCCP
|
June 29, 2022
Stochastic effective core potentials, improving efficiency using a spin-dependent core definition
Jonas Feldt, Antoine Bienvenu, Roland Assaraf
Journal of Chemical Information and Modeling
|
March 13, 2012
Atomdroid: a computational chemistry tool for mobile platforms
Jonas Feldt, Ricardo A Mata, Johannes M Dieterich
Physical Review. E
|
September 16, 2022
Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling
Antoine Bienvenu, Jonas Feldt, Julien Toulouse, et al.
Journal of Chemical Theory and Computation
|
July 27, 2019
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries
Monika Dash, Jonas Feldt, Saverio Moroni, et al.
Physical Chemistry Chemical Physics : PCCP
|
May 17, 2018
Modelling absorption and emission of a meso-aniline-BODIPY based dye with molecular mechanics
Flip de Jong, Milica Feldt, Jonas Feldt, et al.
The Journal of Physical Chemistry. A
|
May 17, 2012
Study of specific ion-amino acid interactions through the use of local correlation methods
João C A Oliveira, Jonas Feldt, Nuno Galamba, et al.
The Journal of Chemical Physics
|
January 1, 2018
Optimization and benchmarking of a perturbative Metropolis Monte Carlo quantum mechanics/molecular mechanics program
Jonas Feldt, Sebastião Miranda, Frederico Pratas, et al.
Page
of 1