JS
J. M. Soler
cond-mat.mtrl-sciphysics.chem-phcond-mat.softphysics.comp-phcond-matcond-mat.mes-hallcond-mat.str-elmtrl-thcharge/spin density wavesComputer Simulation
On Valency
published · living versionsW_r6pptvkt·v1 · currentpublished
Ab-initio structural, elastic, and vibrational properties of carbon nanotubes
with D. Sanchez-Portal, E. Artacho, A. Rubio, P. Ordejon
1 version
W_m4375cwr·v1published
Preprints & journals
69 papers in the corpus · 1986–2024Anti-Coulomb ion-ion interactions: a theoretical and computational study2404.02824v2 · Alec Wills, Anthony Mannino, Isidro Losada et al.2024 · 3 citationsarXiv
Critical analysis of the response function in low-dimensional materials.33636715 · Divilov, Simon, Mayo, Sara G, Soler, Jose M et al.2021 · 2 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2021;33(29)
SIESTA: recent developments and applications2006.01270v1 · Alberto Garc'ia, Nick Papior, Arsalan Akhtar et al.2020 · 561 citationsJ. Chem. Phys. 152, 204108 (2020)
The CECAM Electronic Structure Library and the modular software development paradigm2005.05756v2 · Micael J. T. Oliveira, Nick Papior, Yann Pouillon et al.2020 · 34 citationsarXiv
High Electrical Conductivity of Single Metal-Organic Chains.29659059 · Ares, Pablo, Amo-Ochoa, Pilar, Soler, José M et al.2018 · 15 citationsAdvanced materials (Deerfield Beach, Fla.). 2018;30(21):e1705645
A chain-of-states acceleration method for the efficient location of minimum energy paths.26567643 · Hernández, E R, Herrero, C P, Soler, J M2016 · 3 citationsThe Journal of chemical physics. 2015;143(18):184104
A simple Chain-of-States method in acceleration space for the efficient location of Minimum Energy Paths1509.02270v2 · E. R. Hernandez, C. P. Herrero, J. M. Soler2015 · 0 citationsarXiv
Room temperature compressibility and diffusivity of liquid water from first principles.24320334 · Corsetti, Fabiano, Artacho, Emilio, Soler, José M et al.2014 · 60 citationsThe Journal of chemical physics. 2013;139(19):194502
Optimal finite-range atomic basis sets for liquid water and ice.24107552 · Corsetti, Fabiano, Fernández-Serra, M-V, Soler, José M et al.2014 · 36 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2013;25(43):435504
Coordination chemistry of 6-thioguanine derivatives with cobalt: toward formation of electrical conductive one-dimensional coordination polymers.23594219 · Amo-Ochoa, Pilar, Alexandre, Simone S, Hribesh, Samira et al.2013 · 34 citationsInorganic chemistry. 2013;52(9):5290-9
Intrinsic electrical conductivity of nanostructured metal-organic polymer chains.23591876 · Hermosa, Cristina, Vicente Álvarez, Jose, Azani, Mohammad-Reza et al.2013 · 71 citationsNature communications. 2013;4:1709
Recovering hidden Bloch character: Unfolding Electrons, Phonons, and Slabs1212.5702v1 · P. B. Allen, T. Berlijn, D. A. Casavant et al.2012 · 107 citationsPhys. Rev. B 87, 085322 (2013); erratum Phys. Rev. B 87, 239904 (2013)
Anomalous nuclear quantum effects in ice.23003032 · Pamuk, B, Soler, J M, Ramírez, R et al.2012 · 135 citationsPhysical review letters. 2012;108(19):193003
Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.22029322 · Kohanoff, Jorge, Pinilla, Carlos, Youngs, Tristan G A et al.2012 · 19 citationsThe Journal of chemical physics. 2011;135(15):154505
Ab initio energetics and kinetics study of H_2 and CH_4 in the SI Clathrate Hydrate1105.5780v2 · Qi Li, Brian Kolb, Guillermo Roman-Perez et al.2011 · 33 citationsPhys. Rev. B 84, 153103 (2011)
Flexibility in a metal-organic framework material controlled by weak dispersion forces: the bistability of MIL-53(Al).20818633 · Walker, Andrew M, Civalleri, Bartolomeo, Slater, Ben et al.2011 · 178 citationsAngewandte Chemie (International ed. in English). 2010;49(41):7501-3
Stability, adsorption, and diffusion of CH₄, CO₂, and H₂ in clathrate hydrates.21230845 · Román-Pérez, Guillermo, Moaied, Mohammed, Soler, Jose M et al.2011 · 92 citationsPhysical review letters. 2010;105(14):145901
Density, structure and dynamics of water: the effect of Van der Waals interactions1005.2680v2 · Jue Wang, G. Roman-Perez, Jose M. Soler et al.2010 · 299 citationsarXiv
Azafullerene-like nanosized clusters.19860386 · López, Vicente, Pérez, Guillermo Román, Arregui, Andrés et al.2010 · 14 citationsACS nano. 2009;3(11):3352-7
Efficient implementation of a van der Waals density functional: application to double-wall carbon nanotubes.19792809 · Román-Pérez, Guillermo, Soler, José M2009 · 1,578 citationsPhysical review letters. 2009;103(9):096102
Energetics and dynamics of H(2) adsorbed in a nanoporous material at low temperature.19792810 · Kong, Lingzhu, Román-Pérez, Guillermo, Soler, José M et al.2009 · 99 citationsPhysical review letters. 2009;103(9):096103
Anomalous electron-phonon interaction in doped LaOFeAs: a First Principles calculation0810.2474v1 · Felix Yndurain, Jose M. Soler2008 · 36 citationsarXiv
The SIESTA method; developments and applicability.21693870 · Artacho, Emilio, Anglada, E, Diéguez, O et al.2012 · 836 citationsJournal of physics. Condensed matter : an Institute of Physics journal. 2008;20(6):064208
Dislocation formation from a surface step in semiconductors: an ab initio study0709.1579v1 · Julien Godet (LMP), Sandrine Brochard (LMP), Laurent Pizzagalli (LMP) et al.2007 · 54 citationsPhysical Review B 73, 9 (2006) 092105
Formation of gold nanowires with impurities: a first-principles molecular dynamics simulation.17359174 · Anglada, Eduardo, Torres, José A, Yndurain, Félix et al.2007 · 32 citationsPhysical review letters. 2007;98(9):096102
Comment on "Magnetism in atomic-size palladium contacts and nanowires".16606151 · Alexandre, Simone S, Mattesini, Maurizio, Soler, José M et al.2006 · 35 citationsPhysical review letters. 2006;96(7):079701; author reply 079702
Magnetism of two-dimensional defects in Pd: stacking faults, twin boundaries and surfacescond-mat/0601658v1 · Simone S. Alexandre, Eduardo Anglada, Jose M. Soler et al.2006 · 47 citationsarXiv
Filtering a distribution simultaneously in real and Fourier spacephysics/0512211v1 · Eduardo Anglada, Jose M. Soler2005 · 14 citationsarXiv
Strain-dependence of the electronic properties in periodic quadruple helical G4-wires.16853904 · Di Felice, Rosa, Calzolari, Arrigo, Garbesi, Anna et al.2007 · 29 citationsThe journal of physical chemistry. B. 2005;109(47):22301-7
Tip and surface determination from experiments and simulations of scanning tunneling microscopy and spectroscopy.15783664 · Paz, Oscar, Brihuega, Iván, Gómez-Rodríguez, José M et al.2005 · 54 citationsPhysical review letters. 2005;94(5):056103
Efficient mixed-force first-principles molecular dynamics.14682838 · Anglada, Eduardo, Junquera, Javier, Soler, José M2004 · 43 citationsPhysical review. E, Statistical, nonlinear, and soft matter physics. 2003;68(5 Pt 2):055701
Exchange and correlation as a functional of the local density of statescond-mat/0309507v2 · Jose M. Soler2003 · 5 citationsPhys. Rev. B 69, 195101 (2004)
Small polarons in dry DNA.14525513 · Alexandre, Simone S, Artacho, Emilio, Soler, José M et al.2003 · 103 citationsPhysical review letters. 2003;91(10):108105
Model Hessian for accelerating first-principles structure optimizationscond-mat/0211509v1 · M. V. Fernandez-Serra, Emilio Artacho, Jose. M. Soler2002 · 21 citationsarXiv
Electrons in Dry DNA from Density Functional Calculationscond-mat/0209563v1 · E. Artacho, M. Machado, D. Sanchez-Portal et al.2002 · 92 citationsMol. Phys. v.101 pp.1587-1594 (2003)
Systematic generation of finite-range atomic basis sets for linear-scaling calculationscond-mat/0207548v1 · E. Anglada, J. Soler, J. Junquera et al.2002 · 290 citationsarXiv
Density functional simulation of small Fe nanoparticlescond-mat/0109540v2 · A. V. Postnikov, P. Entel, Jose M. Soler2001 · 58 citationsEur. Phys. J. D 25(3), p.261-270 (2003)
Variational finite-difference representation of the kinetic energy operatorcond-mat/0108196v1 · P. Maragakis, Jose M. Soler, Efthimios Kaxiras2001 · 19 citationsarXiv
Evaluation of Exchange-Correlation Energy, Potential, and Stresscond-mat/0104171v1 · L. C. Balbas, Jose Luis Martins, Jose M. Soler2001 · 31 citationsPhys. Rev. B 64, 165110 (2001)
Efficient index handling of multidimensional periodic boundary conditionscond-mat/0104182v1 · Jose M. Soler2001 · 12,320 citationsAppendix C in J.Phys:Condens.Matter 14 (2002) 2745
Do thiols merely passivate gold nanoclusters?11102233 · Garzon, Rovira, Michaelian et al.2019 · 172 citationsPhysical review letters. 2000;85(24):5250-1
Absence of dc-conductivity in lambda-DNA.11102169 · de Pablo, P J, Moreno-Herrero, F, Colchero, J et al.2001 · 611 citationsPhysical review letters. 2000;85(23):4992-5
First principles study of the adsorption of C60 on Si(111)cond-mat/0010500v1 · Daniel Sanchez-Portal, Emilio Artacho, J. I. Pascual et al.2000 · 15 citationsarXiv
Comment on "Identifying molecular orientation of individual C60 on a Si(111)-(7x7) Surface"10978136 · Pascual, Gomez-Herrero, Baro et al.2019 · 14 citationsPhysical review letters. 2000;85(12):2653
Atomic layering at the liquid silicon surface: a first- principles simulationcond-mat/9907380v1 · G. Fabricius (1, E. Artacho (1, D. Sanchez-Portal et al.1999 · 44 citationsarXiv
Energetics of the oxidation and opening of a carbon nanotubecond-mat/9905419v1 · Mario S. C. Mazzoni, Helio Chacham, Pablo Ordejon et al.1999 · 70 citationsarXiv
Stiff monatomic gold wires with a spinning zigzag geometrycond-mat/9905225v1 · Daniel Sanchez-Portal, Emilio Artacho, Javier Junquera et al.1999 · 248 citationsarXiv
Linear-scaling ab-initio calculations for large and complex systemscond-mat/9904159v1 · Emilio Artacho, Daniel Sanchez-Portal, Pablo Ordejon et al.1999 · 1,085 citationsarXiv
The Puzzling Stability of Monatomic Gold Wirescond-mat/9812369v1 · J. A. Torres, E. Tosatti, A. Dal Corso et al.1998 · 124 citationsarXiv
Ab-initio structural, elastic, and vibrational properties of carbon nanotubescond-mat/9811363v1 · D. Sanchez-Portal, E. Artacho, J. M. Soler et al.1998 · 952 citationsarXivon Valency
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