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2022
Optimal location and sizing of distributed generation in distribution networks using PSO,
Alexander Águila-Téllez, Diego González, G. Gutiérrez, Lenny Ortiz.
Revista de I+D Tecnológico, 18, 50 (2022).Temperature in magnetic systems: Evolution towards thermal equilibrium by spin dynamics simulation,
G. Gutiérrez, S Davis, C Esparza.
Physica A: Statistical Mechanics and its Applications, 591, 126729 (2022).Trans-polyacetylene based organic spin valve for a multifunctional spin-based device: A first principle analysis,
K. Gaurav, B. SanthiBhushan, G. Gutiérrez, R Ahuja, A Srivastava.
J. Science: Advanced Materials and Devices, 7, 100459 (2022).Mixed-anion mixed-cation perovskite (FAPbI3)0.875(MAPbBr3)0.125 an ab initio molecular dynamics study,
E. Menéndez-Proupin, S. Grover, A. Montero-Alejo, S. Midgley, D. Scott, K. Butler, R. Grau-Crespo.
J. Materials Chemistry A, 10, 9592 (2022).
2021
An exact solution for a particle in a velocity-dependent potential,
Julio M. Yáñez, Felipe González-Cataldo, Gonzalo Gutiérrez, David Laroze.
American Journal of Physics, 89, 1103 (2021).A model for defect formation in materials exposed to radiation,
Sergio Davis, Felipe González-Cataldo, Gonzalo Gutiérrez, Gonzalo Avaria, Biswajit Bora, Jalaj Jain, José Moreno, Cristian Pavez, and Leopoldo Soto.
Matter and Radiation at Extremes, 6, 015902 (2021).Statistical approaches to the problem of homogeneous melting of solids in the microcanonical ensemble,
V Olguín-Arias, Sergio Davis, Gonzalo Gutiérrez.
Journal of Physics: Conference Series, 2090, 012032 (2021).A general statistical model for waiting times until collapse of a system,
Vivianne Olguín-Arias, Sergio Davis, Gonzalo Gutiérrez.
Physica A, 561, 125198 (2021).Hybridization and Torsion Defects influenced Electron Transport in Trans-Polyacetylene,
Kumar Gaurav, Boddepalli SanthiBhushan, German Miño-Galaz, Gonzalo Gutiérrez, Anurag Srivastava
Physica E: Low-dimensional Systems and Nanostructures, 129, 114628 (2021). Link to journal
2020
Methodological Issues in First-Principle Calculations of CH3NH3PbI3 Perovskite Surfaces: Quantum Confinement and Thermal Motion,
Lucas Lodeiro, Felipe Barría-Cáceres, Karla Jiménez, Renato Contreras, Ana L. Montero-Alejo, and Eduardo Menéndez-Proupin.
ACS Omega, -, XXXX (2020). Link to journalPrecursors to plastic failure in a numerical simulation of CuZr metallic glass,
Matías Sepúlveda-Macías, Gonzalo Gutiérrez, Fernando Lund.
Journal of Physics: Condensed Matter, 32, 174003 (2020). (Available on the arXiv)Bismuth Doping of CdTe: The Effect of Spin‐Orbit Coupling,
Juan Alberto Ríos-González, Eduardo Menéndez, Juan Luis Peña.
Physica Status Solidi b, 0, 1800219 (2018). Link to journal
2019
Effect of double or single bonding in C-H stretching signal propagation in organic molecules. A computational study ,
Germán Miño-Galaz, Juan Pablo Staforelli, Gonzalo Gutiérrez.
Chemical Physics Letters 714, 178-184 (2019). Link to journalA general statistical model for waiting times until collapse of a system,
V Olguín-Arias, Sergio Davis, Gonzalo Gutiérrez.
Submitted. (Available on the arXiv)Emergence of Tsallis statistics as a consequence of invariance,
Sergio Davis and Gonzalo Gutiérrez.
Physica A 533, 122031 (2019). Link to journalExtended correlations in the critical superheated solid,
Vivianne Olguín-Arias, Sergio Davis, Gonzalo Gutiérrez.
J. Chem. Phys. 151, 064507 (2019). Link to journal (Available on the arXiv)Self-compensation in chlorine- doped CdTe,
Walter Orellana, E. Menéndez Proupin, M.A.Flores.
Scientific Reports 9, 9194 (2019). Link to journalAsymmetrical vibrational energy propagation through double or single bonds of small organic molecules. An ab-initio molecular dynamics study,
Germán Miño-Galaza, Jose Mauricio Gonzalez, JuanPablo Staforellic, Gonzalo Gutiérrez.
Chemical Physics Letters 730, 220 (2019). Link to journalBayesian statistical modeling of microcanonical melting times at the superheated regime,
Sergio Davis, Claudia Loyola, Joaquín Peralta.
Physica A 515, 546-557 (2019). Link to journalSymmetry and thermodynamics of tellurium vacancies in cadmium telluride,
E. Menéndez Proupin, M.Casanova-Páeza, Ana Lilian Montero-Alejo, M.A.Flores, Walter Orellana.
Physica B: Condensed Matter, -, - (2019). Link to journalEnhancement of mechanical properties of metallic glass nanolaminates via martensitic transformation: Atomistic deformation mechanism,
Nicolas Amigo, Matías Sepúlveda-Macías, Gonzalo Gutiérrez.
Materials Chemistry and Physics, 225, 159-168 (2019). Link to journalEffect of double or single bonding in C-H stretching signal propagation in organic molecules. A computational study,
Germán Miño-Galaz and Gonzalo Gutiérrez.
Chemical Physics Letters, 714, 178-184 (2019). Link to journal
2018
Electronic and thermal properties of non-stoichiometric and doped cobaltum antimonide,
Diego Velasco-Soto, E. Menéndez Proupin, Rebeca Realyvazquez-Guevara and Jose Matutes-Aquino.
Mater. Res. Express, 5, 025908 (2018). Link to journalInfluence of chromium hyperdoping on the electronic structure of CH3NH3PbI3 perovskite: a first-principles insight ,
G. Garcia, P. Palacios, Eduardo Menéndez, Ana Lilian Montero-Alejo, José C. Conesa and Perla Wahnon.
Scientific Reports 8, 2511 (2018). Link to journalEnergetics and Electronic Properties of Interstitial Chlorine in CdTe,
Walter Orellana, E. Menéndez Proupin, and Mauricio Flores.
Physica Status Solidi b, 0, 1800219 (2018). Link to journalConfigurational temperature in constrained systems: the case of spin dynamics,
Gonzalo Gutiérrez, Sergio Davis, and Gonzalo Palma.
Journal of Physics A: Mathematical and Theoretical 505, 864 (2018). Link to journalProbabilistic Inference for Dynamical Systems,
Diego González and Sergio Davis, and Gonzalo Gutiérrez.
Entropy 20, 696 (2018) . Link to journalTemperature is not an observable in superstatistics,
Sergio Davis and Gonzalo Gutiérrez.
Physica A: Statistical Mechanics and its Applications 505, 864 (2018). Link to journalTensile behavior of Cu50Zr50 metallic glass nanowire with a B2 crystalline precipitate,
Matías Sepúlveda-Macías, Nicolas Amigo, Gonzalo Gutiérrez.
Physical Review B 531, 64 (2018). Link to journalExpectation values of general observables in the Vlasov formalism,
D. González, A Tamburrini, S. Davis, J Jain, G. Gutiérrez.
Journal of Physics: Conference Series 1043, 012008 (2018). Link to journalMelting curve of Si by means of the Z-method,
Felipe González-Cataldo, Fernando Corvacho, and Gonzalo Gutiérrez.
Journal of Physics: Conference Series 1043, 012038 (2018). Link to journalNormal Modes in Graphene for Different Geometries,
Gabriel Caceres, Felipe González-Cataldo, and Gonzalo Gutiérrez.
Journal of Physics: Conference Series 1043, 012041 (2018). Link to journalImplications of Superstatistics for steady-state plasmas,
Sergio Davis and Gonzalo Gutiérrez.
Journal of Physics: Conference Series 1043, 012011 (2018). Link to journalStrain rate and temperature effect on Zr50Cu50 metallic glass under pure shear,
Matías Sepúlveda-Macías, Gonzalo Gutiérrez, and Fernando Lund.
Journal of Physics: Conference Series 1043, 012040 (2018). Link to journal
2017
Ferroelectric Domains May Lead to 2-D Confinement of Holes but Not of Electrons in CH3NH3PbI3 Perovskite ,
Ana Lilian Montero-Alejo, Eduardo Menéndez, Pablo Palacios, Perla Wahnon, and José C. Conesa.
Journal of Physical Chemistry C -, - (2016). Link to journalSelf-compensation in phosphorus-doped CdTe,
Mauricio Flores, Walter Orellana and E. Menéndez Proupin.
Physical Review B 96, 134115 (2017). Link to journalMartensitic transformation to monoclinic phase in bulk B2–CuZr,
Nicolás Amigo, Matías Sepúlveda-Macías and Gonzalo Gutiérrez.
Intermetallics 91, 16 (2017). Link to journalFirst Principles Study of V-implantation in Highly-doped Silicon Materials,
Gregorio García, Marcos Casanova; Pablo Palacios; E. Menéndez Proupin; Perla Wahnón.
Computational Materials Science, 85, 108 (2017) Link to journalSliding down an arbitrary curve in the presence of friction,
Felipe González-Cataldo, Gonzalo Gutiérrez and Julio Yáñez.
American Journal of Physics, 85, 108 (2017) Link to journalSn-doped CdTe as promising intermediate-band photovoltaic material,
Mauricio Flores, E. Menéndez Proupin, Walter Orellana and Juan L. Peña.
Journal of Physics D: Applied Physics 50, 035501 (2016). Link to journal
2016
Similarity measures between excited singlet and triplet electron densities in linear acenes: an application to singlet fission,
Luis A. Montero-Cabrera, Yoana Pérez-Badell, Mario Piris, Ana L. Montero-Alejo, José M. García de la Vega & António J.C. Varandas..
Molecular Physics 114, 3650--3657 (2016). Link to journalElectronic structure of photovoltaic perovskites: the case of CH3NH3PbI3,
E. Menéndez Proupin, Pablo Palacios, Perla Wahnón, J.C. Conesa, Ana Lilian Montero-Alejo, Carlos Beltrán.
Current Trends in Energy and Sustainability. 2015 Edition. Chapter VIII (2016) ISBN: 978-84-608-5438-8. Link to journalFirst-principles DFT+GW study of oxygen-doped CdTe,
Mauricio Flores, Walter Orellana and E. Menéndez Proupin.
Physical Review B 93, 184103 (2016). Link to journalSpin-orbit coupling effects in gold clusters: The case of Au13,
Mauricio Flores and E. Menéndez Proupin.
Journal of Physics: Conferences Series 720, 012034 (2016). Link to journalSn doped CdTe as candidate for intermediate-band solar cells: A first principles DFT+GW study,
Mauricio Flores and E. Menéndez Proupin.
Journal of Physics: Conferences Series 720, 012033 (2016). Link to journalTheoretical study of intrinsic defects in CdTe,
E. Menéndez Proupin and Walter Orellana.
Journal of Physics: Conferences Series 720, 012031 (2016). Link to journalHilda Cid: physicist, crystallographer, structural biologist,
Gonzalo Gutiérrez.
Journal of Physics: Conferences Series 720, 012058 (2016). Link to journalThe Maximum Caliber principle applied to continuous systems,
Diego González and Sergio Davis.
Journal of Physics: Conferences Series 720, 012006 (2016). Link to journalInverse temperature in Superstatistics,
Humberto Loguercio and Sergio Davis.
Journal of Physics: Conferences Series 720, 012007 (2016). Link to journalTemperature estimators in computer simulation,
César Jara, Felipe González-Cataldo, Sergio Davis and Gonzalo Gutiérrez.
Journal of Physics: Conferences Series 720, 012003 (2016). Link to journalZ method calculations to determine the melting curve of silica at high pressures,
Felipe González-Cataldo, Sergio Davis and Gonzalo Gutiérrez.
Journal of Physics: Conferences Series 720, 012032 (2016). Link to journalMelting curve of SiO2 at multimegabar pressures: implications for gas giants and super-Earths,
Felipe González-Cataldo, Sergio Davis and Gonzalo Gutiérrez.
Scientific Reports 6, 26537 (2016). Link to journalModeling of Thermal Effect on the Electronic Properties of Photovoltaic Perovskite CH3NH3PbI3: The Case of Tetragonal Phase,
Ana Lilian Montero-Alejo, Eduardo Menéndez, Diego Hidalgo-Rojas, Pablo Palacios, Perla Wahnon, and José C. Conesa.
Journal of Physical Chemistry C 120, 7976 (2016). Link to journalOnset of plasticity and its relation to atomic structure in CuZr metallic glass nanowire: A molecular dynamics study,
Matías Sepúlveda-Macías, Nicolás Amigo and Gonzalo Gutiérrez.
Journal of Alloys and Compounds 655, 357 (2016). Link to journal
2015
A Bayesian Interpretation of First-Order Phase Transitions,
Sergio Davis, Joaquín Peralta, Yasmín Navarrete, Diego González, Gonzalo Gutiérrez.
Foundations of Physics -, 1 (2015). Link to journalMechanical properties of irradiated nanowires e A molecular dynamics study,
Emilio Figueroa, Diego Tramontina, Gonzalo Gutiérrez, Eduardo Bringa.
Journal of Nuclear Materials journal 467, 677 (2015). Link to journalΔ Allosteric Communication Pathways and Thermal Rectification in PDZ-2 Protein: A Computational Study,
Germán Miño-Galaz.
The Journal of Physical Chemistry B 119, 6179 (2015). Link to journalNonhydrogenic exciton spectrum in perovskite CH3NH3PbI3,
E. Menéndez-Proupin, Carlos L. Beltrán Ríos and P. Wahnón.
Physica Status Solidi RRL 9, 559 (2015). Link to journalSingle- and double-wall carbon nanotubes fully covered with tetraphenylporphyrins: Stability and optoelectronic properties from ab initio calculations,
Walter Orellana.
Chemical Physics Letters 634, 47 (2015). Link to journalHydrogen bonds and asymmetrical heat diffusion in α-helices. A computational analysis,
G. Miño-Galaz and Gonzalo Gutiérrez.
Chemical Physics Letters 635, 16 (2015). Link to journalTellurium vacancy in cadmium telluride revisited: Size effects in the electronic properties,
E. Menéndez-Proupin and Walter Orellana.
Physica Status Solidi (B) 8, 1 (2015). Link to journalElectronic and atomic structure of complex defects in Al- and Ga-highly doped ZnO films,
E. Menéndez-Proupin, Pablo Palacios and Perla Wahnón.
Materials Chemistry and Physics 160, 420 (2015). Link to journalEvolution of the doping regimes in the Al-doped SnO2 nanoparticles prepared by a polymer precursor method,
F.H. Aragón, J.A.H. Coaquira, L. Villegas-Lelovsky, S.W. da Silva, D.F. Cesar, L.C.C.M Nagamine, R. Cohen, E. Menéndez-Proupin and P.C. Morais.
Journal of Physics: Condensed Matter 27, 095301 (2015). Link to journalStability of iron crystal structures at 0.3–1.5 TPa,
B. K. Godwal, F. González-Cataldo, A. K. Verma, L. Stixrude, and R. Jeanloz.
Earth and Planetary Science Letters 409, 299 (2015). Link to journalStatistical distribution of thermal vacancies close to the melting point,
María José Pozo, Sergio Davis and Joaquín Peralta.
Physica B 457, 310 (2015). Link to journal
2014
Characterization of the axial plasma shock in a table top plasma focus after the pinch and its possible application to testing materials for fusion reactors,
Leopoldo Soto, Cristian Pavez, José Moreno, María José Inestrosa-Izurieta, Felipe Veloso, Gonzalo Gutiérrez, Julio Vergara, Alejandro Clausse, Horacio Bruzzone, Fermín Castillo and Luis F. Delgado-Aparicio.
Physics of Plasmas 21, 122703 (2014). Link to journalElastic constants and Debye temperature of wz-AlN and wz-GaN semiconductors under high pressure from first-principles,
B. P. Pandey, V. Kumar, and E. Menéndez-Proupin.
Pramana 83, 413 (2014). Link to journalPressure-induced structural transition in amorphous GeO2: amolecular dynamics simulation,
Joaquín Peralta and Gonzalo Gutiérrez.
The European Physical Journal B 87, 257 (2014). Link to journalBuckling of Cu–Zr-based metallic glasses nanowires: molecular dynamics study of surface effects,
Javier Wachter, Gonzalo Gutiérrez, Alejandro Zúñiga and Rodrigo Palma.
Journal of Materials Science 49, 8051 (2014). Link to journalFitting of interatomic potentials without forces: a parallel particle swarm optimization algorithm,
D. González and Sergio Davis.
Computer Physics Communications 185, 3090 (2014). Link to journalHydrogen Bonds and Heat Diffusion in α-Helices: A Computational Study,
German Miño, Raúl Barriga and Gonzalo Gutiérrez.
Journal of Physical Chemistry B 118, 10025 (2014). Link to journalAntecedents and perspectives on the development of nuclear energy in Chile,
Gonzalo Gutiérrez.
Journal of Physics: Conference Series 511, 012089 (2014). Link to journalSpeech of the President of the Chilean Nuclear Energy Commission,
Gonzalo Gutiérrez.
Journal of Physics: Conference Series 511, 011003 (2014). Link to journalNewtonian Dynamics from the principle of Maximum Caliber,
D. González, Sergio Davis and Gonzalo Gutiérrez.
Foundations of Physics 44, 923 (2014). Link to journalSelf-consistent relativistic band structure of the CH3NH3PbI3 perovskite,
E. Menéndez-Proupin, P. Palacios, P. Wahnón, and J. C. Conesa.
Phys. Rev. B 90, 045207 (2014). Link to journalElectronic structure of CdTe using GGA+USIC,
E. Menéndez-Proupin, A. Amézaga, and N. Cruz Hernández.
Physica B 452, 119 (2014). Link to journalThe absorption spectrum of C60 in n-hexane solution revisited: fitted experiment and TDDFT/PCM calculations,
E. Menéndez-Proupin, Alain Delgado, Ana L. Montero-Alejo, and J.M. García de la Vega.
Chem. Phys. Lett. 593, 72 (2014). Link to journalAb Initio Free Energy Calculations of the Solubility of Silica in Metallic Hydrogen,
F. González-Cataldo, Hugh Wilson and B. Militzer.
The Astrophysical Journal 787, 79 (2014). Link to journalAtomistic simulation of single crystal copper nanowires under tensile stress: Influence of silver impurities in the emission of dislocations,
Nicolás Amigo, Gonzalo Gutiérrez and M. Ignat.
Computational Materials Science 87, 76 (2014). Link to journalA maximum entropy model for opinions in social groups,
Sergio Davis, Yasmín Navarrete and Gonzalo Gutiérrez.
The European Physical Journal B 87, 78 (2014). Link to journal
2013
Estimation of Tsallis’ q-index in non-extensive systems,
Sergio Davis and Gonzalo Gutiérrez.
AIP Conference Proceedings 1578, 1779 (2013). Link to journalBayesian inference as a tool for analysis of first-principles calculations of complex materials: an application to the melting point of Ti2GaN,
Sergio Davis and Gonzalo Gutiérrez.
Modelling and Simulation in Materials Science and Engineering 21, 683-690 (2013). Link to journalMaximum entropy reconstruction of the configurational density of states from microcanonical simulations,
Sergio Davis.
Journal of Physics: Conference Series 410, 012161 (2013). Link to journalMapping energetics of atom probe evaporation events through first principles calculations,
Joaquín Peralta, SR Broderick, K Rajan.
Ultramicroscopy 132, 143–51 (2013). Link to journalEffect of mutation at the interface of Trp-repressor dimeric protein: a steered molecular dynamics simulation,
Germán Miño, Mauricio Baez and Gonzalo Gutiérrez.
Eur Biophys J 42, 683–690 (2013). Link to journalEffects of Pluronic F68 Micellization on the Viability of Neuronal Cells in Culture,
Vicente D. Samith, Germán Miño, E. Ramos-Moore and Nicolas Arancibia-Miranda.
Journal of Applied Polymer Science, DOI: 10.1002/app.39426. (2013). Link to journalHypervelocity impact of copper nano-projectiles on copper,
Nicolás Amigo, Claudia Loyola, Sergio Davis and Gonzalo Gutiérrez..
Computational Materials Science 68, 245 (2013). Link to journal
2012
Conjugate variables in continuous maximum-entropy inference,
Sergio Davis and Gonzalo Gutiérrez..
Physical Review E 86, 051136 (2012). Link to journalOptical response of carbon nanotubes functionalized with (free-base, Zn) porphyrins, and phthalocyanines: A DFT study,
J. Correa and Walter Orellana,
Physical Review B 86, 125417 (2012). Link to journalUltrathin Carbon Nanotube With Single, Double, and Triple Bonds,
E. Menéndez-Proupin, 'A.L. Montero-Alejo, and J.M. García de la Vega..
Physical Review Letters 109, 2 (2012). Link to journalElectronic excitations of C60 aggregates.,
A L. Montero-Alejo, E. Menéndez-Proupin, M. E. Fuentes, a Delgado, F.-P. Montforts, L. a Montero-Cabrera, and J. M. García de la Vega,
Physical Chemistry Chemical Physics : PCCP 14, 13058 (2012). Link to journalMetal-phthalocyanine functionalized carbon nanotubes as catalyst for the oxygen reduction reaction: A theoretical study.,
W. Orellana,
Chemical Physics Letters 541, 81 (2012). Link to journalParamagnetic shift in thermally annealed CdxZn1-xSe quantum dots,
E. Margapoti, F. M. Alves, S. Mahapatra, V. Lopez-Richard, L. Worschech, K. Brunner, F. Qu, C. Destefani, E. Menéndez-Proupin, C. Bougerol, a Forchel, and G. E. Marques.
New Journal of Physics 14, 043038 (2012). Link to journalInelastic Collisions and Hypervelocity Impacts at Nanoscopic Level: A Molecular Dynamics Study,
Gonzalo Gutiérrez, Sergio Davis, Claudia Loyola, Joaquín Peralta, F. Gonzalez, Yasmín Navarrete and F. Gonzalez-Wasaff.
Molecular Dynamics - Theoretical Developments and Applications in Nanotechnology and Energy, Chapter 12 (2012) ISBN: 978-953-51-0443-8. Link to journal
2011
Structural, elastic, vibrational, and electronic properties of amorphous Al2O3 from ab-initio calculations,
Sergio Davis and Gonzalo Gutiérrez.
Journal of Physics: Condensed Matter 23, 495401 (2011). Link to journalCatalytic activity toward oxygen reduction of transition metal porphyrins covalently linked to single-walled carbon nanotubes: A density functional study,
Walter Orellana.
Physical Review B 84, 155405 (2011). Link to journalFirst-principles calculations of the thermal stability of Ti3SiC2(0001) surfaces,
Walter Orellana and Gonzalo Gutiérrez.
Surface Science 605, 2087–2091 (2011). Link to journalCalculation of microcanonical entropy differences from configurational averages,
Sergio Davis.
Physical Review E 84, 050101(R) (2011). Link to journalModel for diffusion at the microcanonical superheating limit from atomistic computer simulations,
Sergio Davis, Anatoly B. Belonoshko, Börje Johansson, and Anders Rosengren
Physical Review B 84, 064102 (2011). Link to journalSearchFill: A stochastic optimization code for detecting atomic vacancies in crystalline and non-crystalline systems,
Sergio Davis, Anatoly B. Belonoshko and Börje Johansson.
Physical Review B 84, 064102 (2011). Link to journalComputer simulation of elastic constants of hydroxyapatite and fluorapatite,
E. Menéndez-Proupin, S. Cervantes-Rodríguez, R. Osorio-Pulgar, M. Franco-Cisterna, H. Camacho-Montes, and M. E. Fuentes
Journal of the Mechanical Behavior of Biomedical Materials, in press (2011) doi: 10.1016/j.jmbbm.2011.03.001. Link to journalNitrogen/gold codoping of TiO2 (101) anatase surface. A theoretical study based on DFT calculations,
Y. Ortega, N. Cruz Hernández, E. Menéndez-Proupin, J. Graciani and J. Fdez. Sanz
Phys. Chem. Chem. Phys., (2011), DOI: 10.1039/c0cp02470h. Link to journal
2010
(M,R) Systems and RAF Sets: Common Ideas, Tools and Projections,
S. Jaramillo, R. Honorato-Zimmer, U. Pereira, D. Contreras , B. Reynaert , V. Hernádez, J. Soto-Andrade, M.L. Cárdenas, A. Cornish-Bowden and J.C. Letelier
Proceedings of the Twelfth International Conference on the Synthesis and Simulation of Living Systems. Link to journal-
Characterization of spin-state tuning in thermally annealed semiconductor quantum dots,
E. Margapoti, Fabrizio M. Alves, V. Lopez-Richard, C. Destefani, G. E. Marques, E. Menéndez-Proupin, Fanyao Qu, S. Mahapatra, K. Brunner, and C. Bougerol
Phys. Rev. B 82, 205318 (2010). Link to journal Structural and dynamical properties of the Cu46Zr54 alloy in crystalline, amorphous and liquid state: a molecular dynamic study,
C. Valencia-Balvín, Claudia Loyola, J. Osorio and Gonzalo Gutiérrez.
Physica B 405, 4970-4977 (2010). Link to journalIron porphyrins attached to single-walled carbon nanotubes: Electronic and dynamical properties from ab initio calculations,
I. Ruiz-tagle and Walter Orellana
Phys. Rev. B 82, 115406 (2010). Link to journalLas Palmeras Molecular Dynamics: A Flexible and Modular Molecular Dynamics Code ,
S. Davis, C. Loyola, F. González, J. Peralta,
Computer Physics Communications, 181(12):2126 – 2139, 2010. Link to journalOnset of failure in solid argon by the effect of a shockwave: a molecular dynamics study ,
C. Loyola, S. Davis, J. Peralta, G. Gutiérrez,
Computational Materials Science 49, 582-587 (2010). Link to journalApproximate quantum mechanical method for describing excitations and related properties of finite single-walled carbon nanotubes,
A. L. Montero-Alejo, M. E. Fuentes, E. Menéndez-Proupin, Walter Orellana, C. F. Bunge, L. A. Montero, and J. M. García de la Vega
Physical Review B 81, 235409 (2010). Link to journalComputer simulation study of amorphous compounds: structural and vibrational properties,
G. Gutiérrez, E. Menéndez-Proupin, C. Loyola, J. Peralta, S. Davis,
Journal of Materials Science, DOI: 10.1007/s10853-010-4579-0, May (2010). Link to journalMolecular dynamics simulation of zirconia melting,
Sergio Davis, Anatoly B. Belonoshko, Anders Rosengren, Adri C. T. van Duin and Borje Johansson.
Central European Journal of Physics 8, 789-797 (2010). Link to journalAtomistic study of vibrational properties of γ-Al2O3 ,
C. Loyola, E. Menéndez-Proupin, G. Gutiérrez,
Journal of Materials Science, DOI 10.1007/s10853-010-4477-5, March (2010). Link to journalCore-level shift analysis of amorphous CdTeOx materials,
R. Lizárraga, E. Holmström, A. Amézaga, N. Bock , T. Peery, E. Menéndez-Proupin, P. Giannozzi,
J. Mater. Sci. 18, 5071-5076 (2010). DOI: 10.1007/s10853-010-4419-2 Link to journalQuantitative local environment characterization in amorphous oxides,
A. Amézaga, E. Holmström, R. Lizárraga, E. Menéndez-Proupin, P. Bartolo-Pérez, P. Giannozzi,
Phys. Rev. B 81, 014210 (2010). Link to journalNon-electrostatic components of short and strong hydrogen bonds induced by compression inside fullerenes,
G. Miño, R. Contreras,
Chemical Physics Letters, 486, 4-6, 119-122, Published, 1070715 ISI (2010). Link to journal
2009
Ab initio molecular dynamics study of amorphous CdTeOx alloys: Structural properties,
E. Menéndez-Proupin, P. Giannozzi, Joaquín Peralta, and Gonzalo Gutiérrez,
Phys. Rev. B 79, 014205 (2009).Reaction and incorporation of H2 molecules inside single-wall carbon nanotubes through multivacancy defects,
Walter Orellana,
Phys. Rev. B 80, 075421 (2009)On the Role of Short and Strong Hydrogen Bonds on the Mechanism of Action of a Model Chymotrypsine Active Site,
G. Miño, R. Contreras
Journal Physical Chemistry A, 113,19,5769-5772, published, 1070715. ISI (2009)
2008
High-pressure melting curve of hydrogen,
Sergio Davis, Anatoly B. Belonoshko, Natalia V. Skorodumova, Adri C. T. van Duin, Borje Johansson.
Journal of Chemical Physics 129, 194508 (2008)Analysis and Projections of Physics in Chile,
L. Soto, M. Zambra, M Loewe, G.Gutiérrez, M. Molina, F. Barra, F. Lund, C. Saavedra, and P. Haberle''+],
Journal of Physics: Conference Series 134, 012052 (2008).Dynamical behaviour of two Interacting Dipoles,
C. Cortés, P. Vargas, G.Gutiérrez, and D. Laroze,
Journal of Physics: Conference Series 134, 012016 (2008).Dynamics of a rotating particle under a time-dependent potential: exact quantum solution from the classical action,
D. Laroze, G.Gutiérrez, R. Rivera and J. Yáñez,
Physica Scripta 78, 015009 (2008).Strength of polycrystalline coarse-grained platinum to 330 Gpa and of nanocrystalline platinum up to 70 Gpa from high-pressure x-ray diffraction data,
A. K. Singh, H-P. Liermann,Y. Akayama, S. K.Saxena, and E. Menéndez-Proupin,
Journal of Applied Physics 103, 063524 (2008).Iron silicide wires patterned by Bi nanolines on the H/Si(001) surface: Spin-density functional calculations,
R.H. Miwa, Walter Orellana and G.P. Srivastava,
Physical Review B 78, 115310 (2008).Stability and bonding properties of finite single-walled carbon nanotubes adsorbed on Si(001),
Walter Orellana,
Applied Physics Letters 92, 093109 (2008).Structural and vibrational properties of amorphous GeO2 a molecular dynamics study,
J.Peralta, Gonzalo Gutiérrez and J. Rogan,
J. Phys.: Condens. Matter 20, 145215 (2008).Dynamics of two interacting dipoles,
D. Laroze, P. Vargas, C. Cortes, Gonzalo Gutiérrez,
Journal of Magnetism and Magnetic Materials 320, 1440-1448 (2008).
2007
Origin of the Low Rigidity of the Earth's Inner Core,
A. B. Belonoshko, Natalia V. Skorodumova, Sergio Davis, Alexander N. Osiptsov, Anders Rosengren, Borje Johansson.
Science 316, 1603 (2007).Properties of the fcc Lennard-Jones crystal model at the limit of superheating,
A. B. Belonoshko, Sergio Davis, N. V. Skorodumova, P. H. Lundow, A. Rosengren, B. Johansson.
Physical Review B 76, 064121 (2007).A theoretical study of Fe adsorption along Bi-nanolines on the H/Si(0 0 1) surface,
R.H. Miwa, Walter Orellana and G.P. Srivastava,
Applied Surface Science 254, 96–98 (2007).Stability and electronic properties of vacancies and antisites in BC2N nanotubes,
J. Rossato, R. J. Baierle, and Walter Orellana,
Phys. Rev. B 75, 235401 (2007).Magnetic properties of Pd atomic clusters from different theoretical approaches,
F. Aguilera-Granja, A. Vega, J.Rogan, Walter Orellana and G. García,
Eur. Phys. J. D 44, 125-131 (2007).A detailed analysis of dipolar interactions in arrays of bi-stable magnetic nanowires,
D. Laroze, J. Escrig, P. Landeros, D. Altbir, M. Vázquez and P. Vargas,
Nanotechnology 18 (2007) 415708.Magnetostatic interactions between two magnetic wires,
R. Piccin, D. Laroze, M. Knobel, P. Vargas and M. Vázquez,
EPL 78 (2007) 67004.Realistic rotating convection in a DNA suspension,
D. Laroze, J. Martínez-Mardones, J. Bragard and C. Perez-García,
Physica A 385, 433–438 (2007).Thermal convection in a rotating binary viscoelastic liquid mixture,
D. Laroze, J. Martínez-Mardones and J. Bragard,
Eur. Phys. J. Special Topics 146, 291–300 (2007).Classical spin dynamics of four interacting magnetic particles on a ring,
D. Laroze and L.M. Pérez,
Physica B (2007), doi:10.1016/j.physb.2007.08.078.Ab-initio elastic properties of compressed Pt,
E. Menéndez-Proupin and A. K. Singh,
Phys. Rev. B 76, 054117 (2007)
2006
Xenon melting: Density functional theory versus diamond anvil cell experiments,
A. B. Belonoshko, Sergio Davis, A. Rosengren, R. Ahuja, et al.
Physical Review B 74, 054114 (2006).Alternative search strategy for minimal energy nanocluster structures: The case of rhodium, palladium, and silver,
J. Rogan, G. García, Claudia Loyola, Walter Orellana, R. Ramírez, and M. Kiwi,
J. Chem. Phys. 125, 214708 (2006).Fe adatoms along Bi nanolines on H / Si(001),
Walter Orellana, and R. H. Miwa,
Applied Physics Letters 74, 093105 (2006).Endohedral terthiophene in zigzag carbon nanotubes: Density functional calculations,
Walter Orellana and Sergio O. Vásquez,
Phys. Rev. B 74, 125419 (2006).Structural, electronic and magnetic properties of vacancies in single-walled carbon nanotubes,
Walter Orellana, and P. Fuentealba,
Surface Science 600, 4305–4309 (2006).Exciton-phonon complexes and optical properties in CdSe nanocrystal,
E. Menéndez-Proupin, N. Cabo-Bizet, and C. Trallero-Giner,
J. Phys.: Condens. Matter 18 7283-7298 (2006).Ab initio study of Ti3Si0.5Ge0.5C2 under pressure,
Walter Orellana, Gonzalo Gutiérrez, E. Menéndez-Proupin, J. Rogan, G. García, B. Manoun, and S. Saxena,
J. Phys. Chem. of Solids 67, 2149-2153 (2006).Proposal for a modified Møller-Plesset perturbation theory,
A. Cabo, F. Claro, E. Menéndez-Proupin, N. Cruz-Hernández, and J. Fernández-Sanz,
Phys. Rev. A 73, 012510 (2006).Nonhydrostatic compression of bismuth to 222 GPa: some constraints on elasticity of the bcc-phase,
A. K. Singh, E. Menéndez-Proupin, Gonzalo Gutiérrez, Y. Akahama and H. Kawamura,
Journal of Physics and Chemistry of Solids 67, 2192-2196 (2006)Solitonic elliptical solutions in the classical XY model,
R. Ferrer, J. Rogan, Sergio Davis, and Gonzalo Gutiérrez,
Physica B 384, 236-238 (2006)Elastic properties of the bcc structure of Bismuth at high pressure,
Gonzalo Gutiérrez, E. Menéndez-Proupin, and A. K. Singh,
Journal of Applied Physics 99, 103504 (2006)
2005
Carbon nanotube adsorbed on hydrogenated Si(001) surfaces,
R.H. Miwa, Walter Orellana and A. Fazzio
Applied Surface Science 244, 124 (2005)Substrate-dependent electronic properties of an armchair carbon nanotube adsorbed on H/Si(001),
R.H. Miwa, Walter Orellana and A. Fazzio
Applied Physics Letters 86, 213111 (2005)Small Pd clusters: A comparison of phenomenological and ab initio approaches,
J Rogan, G. Garcia, J. Valdivia, Walter Orellana, A. Romero, R. Ramirez and M. Kiwi
Physical Review B 72, 115421 (2005)Oxygen-induced atomic desorptions in oxynitrides: Density functional calculations,
Walter Orellana, A.J.R. da Silva and A. Fazzio
Physical Review B 72, 205316 (2005)Electronic properties of bulk gamma-alumina,
E. Menéndez-Proupin and Gonzalo Gutiérrez,
Physical Review B 72, 035116 (2005) (published 14 July 2005)Dynamic properties of a classical anisotropic Heisenberg chain under external magnetic field,
Sergio Davis and Gonzalo Gutiérrez,
Physica B 355, 1-8 (2005)
2004
Comparative study of defect energetics in HfO2 and SiO2,
W.L. Scopel, A.J.R. da Silva, Walter Orellana and A. Fazzio
Applied Physics Letters 84, 1492 (2004)Energetic of nitrogen incorporation reactions in SiO2,
Walter Orellana
Applied Physics Letters 84, 933 (2004)Stability and electronic properties of carbon nanotubes adsorbed on Si(001),
Walter Orellana, R.H. Miwa and A. Fazzio
Surface Science 566-568, 728 (2004)Diffusion-reactions mechanisms of nitriding species in SiO2,
Walter Orellana, A.J.R. da Silva and A. Fazzio
Physical Review B 70, 125206 (2004)Electric-field and exciton structure in CdSe nanocrystals,
E.Menéndez-Proupin and C. Trallero-Giner,
Phys. Rev. B 69, 125336 (2004).The effects of electric field on the electronic structure of a semiconductor quantum dot,
E. Menéndez-Proupin,
J. Appl. Phys. 95, 3223-3224 (2004).Electronic Structure of binary and ternary Cd-Te-O compounds,
E. Menéndez-Proupin, Gonzalo Gutiérrez, E. Palmero, and J. L. Peña
Physical Review B 70, 035112 (2004) (published 23 July 2004).Structure of liquid GeO2 from a computer simulation model,
Gonzalo Gutiérrez and J. Rogan
Physical Review E 69, 031201 (2004)