Emilio Artacho

Ikerbasque Research Professor, CIC nanoGUNE

Theory Group Leader at CIC nanoGUNE.

Research line:

Condensed matter physics; theory and simulation of solids, liquids and nanostructures

More than 10 years of research experience in research centres in Europe and USA. He comes from the Department of Physics, Cavendish Laboratory, University of Cambridge.

Doctor in Condensed Matter Physics from the Autónoma University of Madrid in 1990.

2024

Article / Improper two-dimensional electron gas formation

arXiv.org

D. Bennett, P. Aguado-Puente, E. Artacho and N. C. Bristowe

2023

Article / Pressure-induced transitions in FePS3: Structural, magnetic and electronic properties

SciPost Physics

S. Deng, S. Chen, B. Monserrat, E. Artacho, and S. S. Saxena

Article / Nonlinear electronic stopping of negatively-charged particles in liquid water

Physical Review Research

N. Koval, F. Da Pieve, B. Gu, D. Munoz-Santiburcio, J. Kohanoff, and E. Artacho

Article / On-Surface Synthesis of High-Spin Aza-Triangulene

Angewandte Chemie International Edition

M. Vilas-Varela, F. Romero-Lara, A. Vegliante, J. P. Calupitan, L. Meyer, U. Uriarte-Amiano, N. Friedrich, D. Wang, N. E. Koval, M. E. Sandoval-Salinas, D. Casanova, M. Corso, E. Artacho, D. Peña, and J. I. Pascual

Article / Real-space observation of ultraconfined in-plane anisotropic acoustic terahertz plasmon polaritons

Nature Materials

Chen, S.; Leng, P.L.; Konečná, A.; Modin, E.; Gutierrez-Amigo, M.; Vicentini, E.; Martín-García, B.; Barra-Burillo, M.; Niehues, I.; Maciel Escudero, C.; Xie, X.Y.; Hueso, L.E.; Artacho, E.; Aizpurua, J.; Errea, I.; Vergniory, M.G.; Chuvilin, A.; Xiu, F.X.; Hillenbrand, R.

Article / On-Surface Synthesis and Characterization of a High-Spin Aza-[5]-Triangulene

Angewandte Chemie - International Edition

Vilas-Varela, M.; Romero-Lara, F.; Vegliante, A.; Calupitan, J.P.; Martínez, A.; Meyer, L.; Uriarte-Amiano, U.; Friedrich, N.; Wang, D.; Schulz, F.; Koval, N.E.; Sandoval-Salinas, M.E.; Casanova, D.; Corso, M.; Artacho, E.; Peña, D.; Pascual, J.I.

Article / Nonlinear electronic stopping of negatively charged particles in liquid water

Physical Review Research

Koval, N.E.; Da Pieve, F.; Gu, B.; Muñoz-Santiburcio, D.; Kohanoff, J.; Artacho, E.

Article / Pressure-induced transitions in FePS3: Structural, magnetic and electronic properties

SciPost Physics

Deng, S.; Chen, S.; Monserrat, B.; Artacho, E.; Saxena, S.S.

Article / Modular implementation of the linear- and cubic-scaling orbital minimization methods in electronic structure codes using atomic orbitals

Royal Society Open Science

Lebedeva, I.V.; García, A.; Artacho, E.; Ordejón, P.

Article / Effect of electronic stopping in molecular dynamics simulations of collision cascades in gallium arsenide

Physical Review Materials

Teunissen, J.L.; Jarrin, T.; Richard, N.; Koval, N.E.; Santiburcio, D.M.; Kohanoff, J.; Artacho, E.; Cleri, F.; Da Pieve, F.

2022

Article / Manifold curvature and Ehrenfest forces with a moving basis

SciPost Physics

J. F. K. Halliday and E. Artacho

Article / Ab initio electronic stationary states for nuclear projectiles in solids

Physical Review Research

Halliday, J.F.K.; Famili, M.; Forcellini, N.; Artacho, E.

Article / Coupling between tilts and charge carriers at polar-nonpolar perovskite interfaces

Physical Review B

Bennett, D.; Aguado-Puente, P.; Artacho, E.; Bristowe, N.C.

Article / Local orbital formulation of the Floquet theory of projectile electronic stopping

Physical Review B

Famili, M.; Forcellini, N.; Artacho, E.

Article / Bragg's additivity rule and core and bond model studied by real-time TDDFT electronic stopping simulations: The case of water vapor

Radiation Physics and Chemistry

Gu, B.; Muñoz-Santiburcio, D.; Da Pieve, F.; Cleri, F.; Artacho, E.; Kohanoff, J.

Article / Inelastic scattering of electrons in water from first principles: Cross sections and inelastic mean free path for use in Monte Carlo track-structure simulations of biological damage

Royal Society Open Science

Koval, N.E.; Koval, P.; Da Pieve, F.; Kohanoff, J.; Artacho, E.; Emfietzoglou, D.

Article / Semi-empirical and linear-scaling DFT methods to characterize duplex DNA and G-quadruplexes in the presence of interacting small molecules

Physical Chemistry Chemical Physics

Ortiz de Luzuriaga, I.; Elleuchi, S.; Jarraya, K.; Artacho, E.; López, X.; Gil, A.

Article / Manifold curvature and Ehrenfest forces with a moving basis

SciPost Physics

Halliday, J.F.K.; Artacho, E.

2021

Chapter / Fundamentals of Monte Carlo particle transport and synergies with quantum dynamics for applications in ion-irradiated materials in Space and radiobiology'

Tools for investigating electronic excitation: experiment and multi-scale modelling

F. Da Pieve, N. Koval, B. Gu, D. Munoz-Santiburcio, J. Teunissen, E. Artacho, J. Kohanoff, and F. Cleri

Article / Bragg Additivity Rule and Core and Bond model studied by real-time TDDFT electronic stopping simulations: the case of water vapor

Rad. Phys. Chem,

B. Gu, D. Munoz-Santiburcio, F. Da Pieve, F. Cleri, E. Artacho, and J. Kohanoff

Article / Local orbital formulation of the Floquet theory of projectile electronic stopping

Phys. Rev. B

M. Famili, N. Forcellini, and E. Artacho

Article / Inelastic scattering of electrons in water from first-principles: cross sections for use in Monte Carlo track-structure simulations of bio-damage

Royal Soc. Open Sci.

N. E. Koval, P. Koval, F. Da Pieve, J. Kohanoff, E. Artacho, and D. Emfietzoglou

Article / Numerical integration of quantum time evolution in a curved manifold

Physical Review Research

Halliday, J.F.K.; Artacho, E.

2020

Article / Floquet theory for the electronic stopping of projectiles in solids

Phys. Rev. Research

N. Forcellini and E. Artacho

Article / Self-trapped single electron polaron in WO_3 from first principles

Phys. Rev. Research (Rapid Commun.)

E. Bousquet, H. Hamdi, P. Aguado-Puente, E. K. H. Salje, E. Artacho, and P. Ghosez

Article / Ab initio electronic stopping power for protons in Ga 0.5 in 0.5 P/GaAs/Ge triple-junction solar cells for space applications: Stopping of protons in solar cells

Royal Society Open Science

Koval, N.E.; Da Pieve, F.; Artacho, E.

Article / Electrostatics and domains in ferroelectric superlattices: Domains in ferroelectric superlattices

Royal Society Open Science

Bennett, D.; Muñoz Basagoiti, M.; Artacho, E.

Article / Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

Journal of Chemical Physics

Gu, B.; Cunningham, B.; Munõz Santiburcio, D.; Da Pieve, F.; Artacho, E.; Kohanoff, J.

Article / The CECAM electronic structure library and the modular software development paradigm

Journal of Chemical Physics

Oliveira, M.J.T.; Papior, N.; Pouillon, Y.; Blum, V.; Artacho, E.; Caliste, D.; Corsetti, F.; De Gironcoli, S.; Elena, A.M.; García, A.; García-Suárez, V.M.; Genovese, L.; Huhn, W.P.; Huhs, G.; Kokott, S.; Küçükbenli, E.; Larsen, A.H.; Lazzaro, A.; Lebedeva, I.V.; Li, Y.; López-Durán, D.; López-Tarifa, P.; Lüders, M.; Marques, M.A.L.; Minar, J.; Mohr, S.; Mostofi, A.A.; O'Cais, A.; Payne, M.C.; Ruh, T.; Smith, D.G.A.; Soler, J.M.; Strubbe, D.A.; Tancogne-Dejean, N.; Tildesley, D.; Torrent, M.; Yu, V.W.Z.

Article / Gap variability upon packing in organic photovoltaics

PLoS ONE

López-Durán, D.; Plésiat, E.; Krompiec, M.; Artacho, E.

Article / Entropic bonding of the type 1 pilus from experiment and simulation

Royal Society Open Science

Corsetti, F.; Alonso-Caballero, A.; Poly, S.; Perez-Jimenez, R.; Artacho, E.

Article / First-principles characterization of single-electron polaron in WO3

Physical Review Research

Bousquet, E.; Hamdi, H.; Aguado-Puente, P.; Salje, E.K.H.; Artacho, E.; Ghosez, P.

Review / S iesta: Recent developments and applications

Journal of Chemical Physics

García, A.; Papior, N.; Akhtar, A.; Artacho, E.; Blum, V.; Bosoni, E.; Brandimarte, P.; Brandbyge, M.; Cerdá, J.I.; Corsetti, F.; Cuadrado, R.; Dikan, V.; Ferrer, J.; Gale, J.; García-Fernández, P.; García-Suárez, V.M.; García, S.; Huhs, G.; Illera, S.; Korytár, R.; Koval, P.; Lebedeva, I.; Lin, L.; López-Tarifa, P.; Mayo, S.G.; Mohr, S.; Ordejón, P.; Postnikov, A.; Pouillon, Y.; Pruneda, M.; Robles, R.; Sánchez-Portal, D.; Soler, J.M.; Ullah, R.; Yu, V.W.Z.; Junquera, J.

2019

Article / Dynamical continuum simulation of condensed matter from first-principles

Phys. Rev. Research 1, 033199

O. Strickson, N. Nikiforakis, and E. Artacho

Article / Comparison of dispersion-corrected exchange-correlation functionals using atomic orbitals

Physical Review B

Terentjev, A.V.; Constantin, L.A.; Artacho, E.; Pitarke, J.M.

Article / Electronic heat transport versus atomic heating in irradiated short metallic nanowires

Physical Review B

Grossi, J.; Kohanoff, J.; Todorov, T.N.; Artacho, E.; Bringa, E.M.

Article / Anisotropy of electronic stopping power in graphite

Physical Review B

Halliday, J.; Artacho, E.

2018

Article / Effect of magnetism and temperature on the stability of (Crx, V1-x)2AlC phases

Physical Review Materials

Grossi, J.; Shah, S.H.; Artacho, E.; Bristowe, P.D.

Article / Mechanical architecture and folding of E. coli type 1 pilus domains

Nature Communications

Alonso-Caballero, A.; Schönfelder, J.; Poly, S.; Corsetti, F.; De Sancho, D.; Artacho, E.; Perez-Jimenez, R.

Article / Core Electrons in the Electronic Stopping of Heavy Ions

Physical Review Letters

Ullah, R.; Artacho, E.; Correa, A.A.

Article / Bulk properties and near-critical behaviour of SiO2 fluid

Earth and Planetary Science Letters

Green, E.C.R.; Artacho, E.; Connolly, J.A.D.

2017

Article / Stopping power beyond the adiabatic approximation

Scientific Reports

Caro, M.; Correa, A.A.; Artacho, E.; Caro, A.

Article / Simulations of water nano-confined between corrugated planes

Journal of Chemical Physics

Zubeltzu, J.; Artacho, E.

Article / Quantum mechanics in an evolving Hilbert space

Physical Review B

Artacho, E.; O'Regan, D.D.

Article / Water radiolysis by low-energy carbon projectiles from first-principles molecular dynamics

PLoS ONE

Kohanoff, J.; Artacho, E.

Article / Simulations and spectra of water in CO matrices

Physical Chemistry Chemical Physics

Escribano, R.; Artacho, E.; Kouchi, A.; Hama, T.; Kimura, Y.; Hidaka, H.; Watanabe, N.

2016

Article / Electronic and magnetic properties of superconducting LnO1-xFxBiS2 (Ln = La, Ce, Pr, and Nd) from first principles

Journal of Physics Condensed Matter

Morice, C.; Artacho, E.; Dutton, S.E.; Kim, H.J.; Saxena, S.S.

Article / Continuous melting through a hexatic phase in confined bilayer water

Physical Review E

Zubeltzu, J.; Corsetti, F.; Fernández-Serra, M.V.; Artacho, E.

Article / Ab initio calculation of the shock Hugoniot of bulk silicon

Physical Review B

Strickson, O.; Artacho, E.

Article / Enhanced Configurational Entropy in High-Density Nanoconfined Bilayer Ice

Physical Review Letters

Corsetti, F.; Zubeltzu, J.; Artacho, E.

Article / Structural and configurational properties of nanoconfined monolayer ice from first principles

Scientific Reports

Corsetti, F.; Matthews, P.; Artacho, E.

2015

Article / Electronic structure predictions in Bi-O-S systems (Review)

Novel Superconduct. Mater.

C. Morice, E. Artacho, and S. Saxena

Article / Two-dimensional electron gas at the PbTi O3/SrTi O3 interface: An ab initio study

Physical Review B - Condensed Matter and Materials Physics

Yin, B.; Aguado-Puente, P.; Qu, S.; Artacho, E.

Article / Model of two-dimensional electron gas formation at ferroelectric interfaces

Physical Review B - Condensed Matter and Materials Physics

Aguado-Puente, P.; Bristowe, N.C.; Yin, B.; Shirasawa, R.; Ghosez, P.; Littlewood, P.B.; Artacho, E.

Article / Fermi surfaces and orbital polarization in superconducting CeO0.5 F0.5BiS2 revealed by angle-resolved photoemission spectroscopy

Physical Review B - Condensed Matter and Materials Physics

Sugimoto, T.; Ootsuki, D.; Morice, C.; Artacho, E.; Saxena, S.S.; Schwier, E.F.; Zheng, M.; Kojima, Y.; Iwasawa, H.; Shimada, K.; Arita, M.; Namatame, H.; Taniguchi, M.; Takahashi, M.; Saini, N.L.; Asano, T.; Higashinaka, R.; Matsuda, T.D.; Aoki, Y.; Mizokawa, T.

Article / Effects of stoichiometric doping in superconducting Bi-O-S compounds

Journal of Physics Condensed Matter

Morice, C.; Artacho, E.; Dutton, S.E.; Molnar, D.; Kim, H.J.; Saxena, S.S.

Article / Electronic stopping power in a narrow band gap semiconductor from first principles

Physical Review B - Condensed Matter and Materials Physics

Ullah, R.; Corsetti, F.; Sánchez-Portal, D.; Artacho, E.

2014

Article / Species fractionation in atomic chains from mechanically stretched alloys

Journal of Physics Condensed Matter

Alves Da Silva Autreto, P.; Galvao, D.S.; Artacho, E.

Review / The origin of two-dimensional electron gases at oxide interfaces: Insights from theory

Journal of Physics Condensed Matter

Bristowe, N.C.; Ghosez, P.; Littlewood, P.B.; Artacho, E.

2013

Article / Knock-on damage in bilayer graphene: Indications for a catalytic pathway

Physical Review B - Condensed Matter and Materials Physics

Zubeltzu, J.; Chuvilin, A.; Corsetti, F.; Zurutuza, A.; Artacho, E.

Article / Room temperature compressibility and diffusivity of liquid water from first principles

Journal of Chemical Physics

Corsetti, F.; Artacho, E.; Soler, J.M.; Alexandre, S.S.; Fernández-Serra, M.V.

Article / One-dimensional half-metallic interfaces of two-dimensional honeycomb insulators

Physical Review B - Condensed Matter and Materials Physics

Bristowe, N.C.; Stengel, M.; Littlewood, P.B.; Artacho, E.; Pruneda, J.M.

Article / Optimal finite-range atomic basis sets for liquid water and ice

Journal of Physics Condensed Matter

Corsetti, F.; Fernández-Serra, M.V.; Soler, J.M.; Artacho, E.

Article / Electronic stopping power of H and He in Al and LiF from first principles

Nuclear Instruments and Methods in Physics Research, Section B: Beam Interactions with Materials and Atoms

Zeb, M.A.; Kohanoff, J.; Sánchez-Portal, D.; Artacho, E.

2012

Article / Molecular and electronic structure of the peptide subunit of Geobacter sulfurreducens conductive pili from first principles

Journal of Physical Chemistry A

Feliciano, G.T.; Da Silva, A.J.R.; Reguera, G.; Artacho, E.

Article / Van der Waals interaction in magnetic bilayer graphene nanoribbons

Physical Review B - Condensed Matter and Materials Physics

Santos, H.; Ayuela, A.; Chico, L.; Artacho, E.

Article / Electronic stopping power in gold: The role of d electrons and the H/He anomaly

Physical Review Letters

Zeb, M.A.; Kohanoff, J.; Sánchez-Portal, D.; Arnau, A.; Juaristi, J.I.; Artacho, E.

Article / Probing surface and bulk electrochemical processes on the LaAlO 3-SrTiO 3 interface

ACS Nano

Kumar, A.; Arruda, T.M.; Kim, Y.; Ivanov, I.N.; Jesse, S.; Bark, C.W.; Bristowe, N.C.; Artacho, E.; Littlewood, P.B.; Eom, C.B.; Kalinin, S.V.

Article / Nonadiabatic forces in ion-solid interactions: The initial stages of radiation damage

Physical Review Letters

Correa, A.A.; Kohanoff, J.; Artacho, E.; Sánchez-Portal, D.; Caro, A.

Article / Proposal of a one-dimensional electron gas in the steps at the LaAlO 3-SrTiO 3 interface

Physical Review Letters

Bristowe, N.C.; Fix, T.; Blamire, M.G.; Littlewood, P.B.; Artacho, E.

On the prediction of electronic stopping power from first principles

University of Cambridge

Jessica F. K. Halliday - Finished

Competing polar and nonpolar distortions and phase transitions in low-dimensional materials

University of Cambridge

Daniel Bennett - Finished

Floquet theory of electronic stop- ping processes of projectiles in solids

University of Cambridge

Nicolò Forcellini - Finished

Non-adiabatic Processes in the Radiation Damage of Materials from First Principles

UPV

Rafi Ullah - Finished

Theoretical simulations of nanoconfined water

UPV

Jon Zubeltzu - Finished

Numerical constitutive modelling for continuum mechanics

University of Cambridge

Oliver Strickson - Finished

Ab initio study of superconducting bismuth-sulphur systems

University of Cambridge

Corentin Morice - Finished

Electronic stopping power of slow ions in solids from first principles

University of Cambridge

M. Ahsan Zeb - Finished

Theoretical study of polar complex oxide heterostructures

University of Cambridge

Nicholas Bristowe - Finished

2017

Conference organization | Member Scientific Committee

18th International Workshop on Computational Physics and Materials Science: Total Energy and Force Methods - Conference organization

E. Artacho

Invited talk | SIESTA Experience and thoughts for the future

NSF MolSSI workshop on Materials Simula- tions from first principles - Invited talk

E. Artacho

Invited talk | ECAM Materials Simulations

Computational Materials: Challenges and Future Opportunities - Invited talk

E. Artacho

2016

Conference Paper | Integration of graphene into nanoelectronic devices: Insights from atomistic simulations

Advanced Materials - TechConnect Briefs 2016 - Conference Paper

García-Mota, M.; Oroya, D.J.; Artacho, E.; Cartoixà, X.; Palacios, J.J.