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Journal of Chemical Theory and Computation
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November 24, 2015
Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo
Riccardo Guareschi, Claudia Filippi
The Journal of Physical Chemistry Letters
|
August 20, 2015
Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage
Omar Valsson, Claudia Filippi
The Journal of Chemical Physics
|
July 23, 2004
Optimized Jastrow-Slater wave functions for ground and excited states: application to the lowest states of ethene
Friedemann Schautz, Claudia Filippi
Physical Review Letters
|
May 21, 2005
Energy and variance optimization of many-body wave functions
C J Umrigar, Claudia Filippi
The Journal of Physical Chemistry. A
|
January 24, 2008
Anion-pi and pi-pi cooperative interactions regulating the self-assembly of nitrate-triazine-triazine complexes
Maurizio Zaccheddu, Claudia Filippi, Francesco Buda
The Journal of Chemical Physics
|
December 3, 2008
Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations
M Burkatzki, Claudia Filippi, M Dolg
The Journal of Chemical Physics
|
May 23, 2016
Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo
Claudia Filippi, Roland Assaraf, Saverio Moroni
Journal of Computational Chemistry
|
October 24, 2013
Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamine
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
September 6, 2017
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions
Roland Assaraf, S Moroni, Claudia Filippi
Journal of Chemical Theory and Computation
|
November 20, 2015
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Page
of 6
Search research articles
Search
Showing results (1-10 of 54) with videos related to
Sort By:
Page
of 6
Journal of Chemical Theory and Computation
|
November 24, 2015
Ground- and Excited-State Geometry Optimization of Small Organic Molecules with Quantum Monte Carlo
Riccardo Guareschi, Claudia Filippi
The Journal of Physical Chemistry Letters
|
August 20, 2015
Gas-Phase Retinal Spectroscopy: Temperature Effects Are But a Mirage
Omar Valsson, Claudia Filippi
The Journal of Chemical Physics
|
July 23, 2004
Optimized Jastrow-Slater wave functions for ground and excited states: application to the lowest states of ethene
Friedemann Schautz, Claudia Filippi
Physical Review Letters
|
May 21, 2005
Energy and variance optimization of many-body wave functions
C J Umrigar, Claudia Filippi
The Journal of Physical Chemistry. A
|
January 24, 2008
Anion-pi and pi-pi cooperative interactions regulating the self-assembly of nitrate-triazine-triazine complexes
Maurizio Zaccheddu, Claudia Filippi, Francesco Buda
The Journal of Chemical Physics
|
December 3, 2008
Energy-consistent small-core pseudopotentials for 3d-transition metals adapted to quantum Monte Carlo calculations
M Burkatzki, Claudia Filippi, M Dolg
The Journal of Chemical Physics
|
May 23, 2016
Simple formalism for efficient derivatives and multi-determinant expansions in quantum Monte Carlo
Claudia Filippi, Roland Assaraf, Saverio Moroni
Journal of Computational Chemistry
|
October 24, 2013
Multi-level quantum Monte Carlo wave functions for complex reactions: the decomposition of α-hydroxy-dimethylnitrosamine
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Journal of Chemical Theory and Computation
|
September 6, 2017
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions
Roland Assaraf, S Moroni, Claudia Filippi
Journal of Chemical Theory and Computation
|
November 20, 2015
Barrier Heights in Quantum Monte Carlo with Linear-Scaling Generalized-Valence-Bond Wave Functions
Francesco Fracchia, Claudia Filippi, Claudio Amovilli
Page
of 6