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Pablo Echenique-Robba
Pablo Echenique-Robba
Staff Scientist, Instituto de Química Física Rocasolano, CSIC
Dirección de correo verificada de iqfr.csic.es
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Improved routing strategies for Internet traffic delivery
P Echenique, J Gómez-Gardeñes, Y Moreno
Physical Review E 70 (5), 056105, 2004
3092004
Dynamics of jamming transitions in complex networks
P Echenique, J Gómez-Gardenes, Y Moreno
EPL (Europhysics Letters) 71 (2), 325, 2005
2882005
A mathematical and computational review of Hartree–Fock SCF methods in quantum chemistry
P Echenique, JL Alonso
Molecular Physics 105 (23-24), 3057-3098, 2007
1542007
Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics
X Andrade, A Castro, D Zueco, JL Alonso, P Echenique, F Falceto, ...
Journal of chemical theory and computation 5 (4), 728-742, 2009
1452009
Exploring the free energy landscape: from dynamics to networks and back
D Prada-Gracia, J Gómez-Gardeñes, P Echenique, F Falo
PLoS computational biology 5 (6), e1000415, 2009
1182009
Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory
JL Alonso, X Andrade, P Echenique, F Falceto, D Prada-Gracia, A Rubio
Physical review letters 101 (9), 096403, 2008
1122008
Immunization of real complex communication networks
J Gómez-Gardenes, P Echenique, Y Moreno
The European Physical Journal B-Condensed Matter and Complex Systems 49 (2 …, 2006
1052006
Distance-d covering problems in scale-free networks with degree correlations
P Echenique, J Gómez-Gardeñes, Y Moreno, A Vázquez
Physical Review E 71 (3), 035102, 2005
592005
The Quixote project: Collaborative and Open Quantum Chemistry data management in the Internet age
S Adams, P De Castro, P Echenique, J Estrada, MD Hanwell, ...
Journal of cheminformatics 3 (1), 1-27, 2011
472011
Introduction to protein folding for physicists
P Echenique
Contemporary Physics 48 (2), 81-108, 2007
432007
Comment on “Correlated electron-nuclear dynamics: Exact factorization of the molecular wavefunction”[J. Chem. Phys. 137, 22A530 (2012)]
JL Alonso, J Clemente-Gallardo, P Echenique-Robba, JA Jover-Galtier
The Journal of Chemical Physics 139 (8), 087101, 2013
402013
Statistics and Nosé formalism for Ehrenfest dynamics
JL Alonso, A Castro, J Clemente-Gallardo, JC Cuchí, P Echenique, ...
Journal of Physics A: Mathematical and Theoretical 44 (39), 395004, 2011
382011
Quantum mechanical calculation of the effects of stiff and rigid constraints in the conformational equilibrium of the Alanine dipeptide
P Echenique, I Calvo, JL Alonso
Journal of computational chemistry 27 (14), 1733-1747, 2006
312006
J. G omez-Gardeñes and Y. Moreno
P Echenique
Phys. Rev. E 70, 056105, 2004
252004
Ehrenfest dynamics is purity non-preserving: A necessary ingredient for decoherence
JL Alonso, J Clemente-Gallardo, JC Cuchí, P Echenique, F Falceto
The Journal of Chemical Physics 137 (5), 054106, 2012
232012
Efficient model chemistries for peptides. I. General framework and a study of the heterolevel approximation in RHF and MP2 with Pople split‐valence basis sets
P Echenique, JL Alonso
Journal of computational chemistry 29 (9), 1408-1422, 2008
202008
Definition of systematic, approximately separable, and modular internal coordinates (SASMIC) for macromolecular simulation
P Echenique, JL Alonso
Journal of computational chemistry 27 (10), 1076-1087, 2006
192006
PLoS Comput. Biol. 5, e1000415 (2009)
D Prada-Gracia, J Gómez-Gardenes, P Echenique, F Fernando
19
Ab initio molecular dynamics on the electronic Boltzmann equilibrium distribution
JL Alonso, A Castro, P Echenique, V Polo, A Rubio, D Zueco
New Journal of Physics 12 (8), 083064, 2010
18*2010
A physically meaningful method for the comparison of potential energy functions
JL Alonso, P Echenique
Journal of computational chemistry 27 (2), 238-252, 2006
172006
El sistema no puede realizar la operación en estos momentos. Inténtalo de nuevo más tarde.
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