Claudio Cazorla Silva

Honorary Senior Lecturer

Claudio Cazorla is an ARC Future Fellow/Senior Lecturer in the School of Materials Science and Engineering. His research expertise is built on the application and development of quantum computational techniques for the prediction and understanding of physical and chemical phenomena occurring in crystals, liquids, and surfaces.

Particularly, his work is related to the fields of Materials Science and Computational Condensed Matter Physics. There are several open Ph.D. positions in the area of Materials Modelling in Claudio Cazorla's research group: interested students please send a (i) detailed CV, (ii) copy of transcripts, (iii)  motivation letter, and (iv) at least one reference letter to c.cazorla@unsw.edu.au. For more information on this exciting research opportunity, visit: http://claudiocazorla.com/

publications

Journal articles
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Zhang X; Fan J; Lu X; Han Z; Cazorla C; Hu L; Wu T; Chu D, 2021, 'Corrigendum to “Bridging NiCo layered double hydroxides and Ni3S2 for bifunctional electrocatalysts: The role of vertical graphene” [Chem. Eng. J. 415 (2021) 129048](S1385894721006392)(10.1016/j.cej.2021.129048)', Chemical Engineering Journal, vol. 418, pp. 129448 - 129448, http://dx.doi.org/10.1016/j.cej.2021.129448
2021
Maroufi S; Khayyam Nekouei R; S. Mofarah S; O'Mullane AP; Yao Y; Lim S; Cazorla C; Sahajwalla V, 2021, 'Transparent and Flexible Mn1-x-y(CexLay)O2-delta Ultrathin-Film Device for Highly-Stable Pseudocapacitance Application', ADVANCED FUNCTIONAL MATERIALS, http://dx.doi.org/10.1002/adfm.202100880
2021
Xu Y; Mofarah SS; Mehmood R; Cazorla C; Koshy P; Sorrell CC, 2021, 'Design strategies for ceria nanomaterials: Untangling key mechanistic concepts', Materials Horizons, vol. 8, pp. 102 - 123, http://dx.doi.org/10.1039/d0mh00654h
2021
Travaglini L; Micolich AP; Cazorla C; Zeglio E; Lauto A; Mawad D, 2021, 'Single-Material OECT-Based Flexible Complementary Circuits Featuring Polyaniline in Both Conducting Channels', Advanced Functional Materials, vol. 31, pp. 2007205 - 2007205, http://dx.doi.org/10.1002/adfm.202007205
2021
MacHado P; Canõ I; Menéndez C; Cazorla C; Tan H; Fina I; Campoy-Quiles M; Escudero C; Tallarida M; Coll M, 2021, 'Enhancement of phase stability and optoelectronic performance of BiFeO3thin films: Via cation co-substitution', Journal of Materials Chemistry C, vol. 9, pp. 330 - 339, http://dx.doi.org/10.1039/d0tc04304d
2021
Zhang X; Fan J; Lu X; Han Z; Cazorla C; Hu L; Wu T; Chu D, 2021, 'Bridging NiCo layered double hydroxides and Ni3S2 for bifunctional electrocatalysts: the role of vertical graphene', Chemical Engineering Journal, pp. 129048, http://dx.doi.org/10.1016/j.cej.2021.129048
2021
Miyazaki Y; Nakano M; Krivchikov AI; Koroyuk OA; Gebbia JF; Cazorla C; Tamarit JL, 2021, 'Low-Temperature Heat Capacity Anomalies in Ordered and Disordered Phases of Normal and Deuterated Thiophene', Journal of Physical Chemistry Letters, vol. 12, pp. 2112 - 2117, http://dx.doi.org/10.1021/acs.jpclett.1c00289
2021
Liu Z; Wang B; Cazorla C, 2021, 'Mechanical and electronic properties of CeO2 under uniaxial tensile loading: A DFT study', Materialia, vol. 15, http://dx.doi.org/10.1016/j.mtla.2021.101050
2021
Mofarah SS; Schreck L; Cazorla C; Zheng X; Adabifiroozjaei E; Tsounis C; Scott J; Shahmiri R; Yao Y; Abbasi R; Wang Y; Arandiyan H; Sheppard L; Wong V; Doustkhah E; Koshy P; Sorrell CC, 2021, 'Highly catalytically active CeO2-: X-based heterojunction nanostructures with mixed micro/meso-porous architectures', Nanoscale, vol. 13, pp. 6764 - 6771, http://dx.doi.org/10.1039/d0nr08097g
2021
Luo X; Rawal A; Cazorla C; Aguey-Zinsou KF, 2020, 'Facile Self-Forming Superionic Conductors Based on Complex Borohydride Surface Oxidation', Advanced Sustainable Systems, vol. 4, http://dx.doi.org/10.1002/adsu.201900113
2020
Shirsath SE; Cazorla C; Lu T; Zhang L; Tay YY; Lou X; Liu Y; Li S; Wang D, 2020, 'Interface-Charge Induced Giant Electrocaloric Effect in Lead Free Ferroelectric Thin-Film Bilayers', Nano Letters, vol. 20, pp. 1262 - 1271, http://dx.doi.org/10.1021/acs.nanolett.9b04727
2020
Liu Z; Menéndez C; Shenoy J; Hart JN; Sorrell CC; Cazorla C, 2020, 'Strain engineering of oxide thin films for photocatalytic applications', Nano Energy, vol. 72, http://dx.doi.org/10.1016/j.nanoen.2020.104732
2020
WAN T; Guan P; Guan X; Hu L; Wu T; Cazorla C; Chu D, 2020, 'Facile Patterning of Silver Nanowires with Controlled Polarities via Inkjet-Assisted Manipulation of Interface Adhesion', ACS Applied Materials & Interfaces, http://dx.doi.org/10.1021/acsami.0c07950
2020
Pan Y; Wu Y; Hsain HA; Su R; Cazorla C; Chu D, 2020, 'Synergetic Modulating the Electronic Structure and Hydrophilicity of Nickel-Iron Hydroxide for Efficient Oxygen Evolution by UV/Ozone Treatment', Journal of Materials Chemistry A, http://dx.doi.org/10.1039/D0TA03470C
2020
Min J; Sagotra AK; Cazorla C, 2020, 'Large barocaloric effects in thermoelectric superionic materials', Physical Review Materials, vol. 4, http://dx.doi.org/10.1103/PhysRevMaterials.4.015403
2020
Menéndez C; Cazorla C, 2020, 'Giant Thermal Enhancement of the Electric Polarization in Ferrimagnetic BiFe1-xCox O3 Solid Solutions near Room Temperature', Physical Review Letters, vol. 125, pp. 117601, http://dx.doi.org/10.1103/PHYSREVLETT.125.117601
2020
Wang H; Zhang L; Sun Y; Cazorla C; Guo M; Li Y; Lam KH; Lou X; Wang D, 2020, 'The primary and secondary electrocaloric effect at ferroelectric-ferroelectric transitions in lead-free ceramics', Scripta Materialia, vol. 178, pp. 150 - 154, http://dx.doi.org/10.1016/j.scriptamat.2019.11.014
2020
Ren L; Wang Y; Wang M; Wang S; Zhao Y; Cazorla C; Chen C; Wu T; Jin K, 2020, 'Tuning Magnetism and Photocurrent in Mn-Doped Organic-Inorganic Perovskites', Journal of Physical Chemistry Letters, vol. 11, pp. 2577 - 2584, http://dx.doi.org/10.1021/acs.jpclett.0c00034
2020
Haque E; Cazorla C; Anwar Hossain M, 2020, 'First-principles prediction of large thermoelectric efficiency in superionic Li2SnX3 (X = S, Se)', Physical Chemistry Chemical Physics, vol. 22, pp. 878 - 889, http://dx.doi.org/10.1039/c9cp05939c
2020
Anzellini S; Errandonea D; Cazorla C; MacLeod S; Monteseguro V; Boccato S; Bandiello E; Anichtchenko DD; Popescu C; Beavers CM, 2020, 'Author Correction: Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell (Scientific Reports, (2019), 9, 1, (14459), 10.1038/s41598-019-51037-8)', Scientific Reports, vol. 10, http://dx.doi.org/10.1038/s41598-020-63865-0
2020
Polek A; Cazorla C; Kundu D, 2020, 'Nature of Alkali Ion Conduction and Reversible Na-Ion Storage in Hybrid Formate Framework Materials', Journal of Physical Chemistry C, vol. 124, pp. 26714 - 26721, http://dx.doi.org/10.1021/acs.jpcc.0c09783
2020
Menéndez C; Chu D; Cazorla C, 2020, 'Oxygen-vacancy induced magnetic phase transitions in multiferroic thin films', npj Computational Materials, vol. 6, pp. 76, http://dx.doi.org/10.1038/s41524-020-0344-3
2020
Sapkota P; Boyer C; Dutta R; Cazorla C; Aguey-Zinsou KF, 2020, 'Planar polymer electrolyte membrane fuel cells: Powering portable devices from hydrogen', Sustainable Energy and Fuels, vol. 4, pp. 439 - 468, http://dx.doi.org/10.1039/c9se00861f
2020
Bahmanrokh G; Cazorla C; Mofarah SS; Shahmiri R; Yao Y; Ismail I; Chen WF; Koshy P; Sorrell CC, 2020, 'Band gap engineering of Ce-doped anatase TiO2 through solid solubility mechanisms and new defect equilibria formalism', Nanoscale, vol. 12, pp. 4916 - 4934, http://dx.doi.org/10.1039/c9nr08604h
2020
Shahrokhi S; Gao W; Wang Y; Anandan PR; Rahaman MZ; Singh S; Wang D; Cazorla C; Yuan G; Liu JM; Wu T, 2020, 'Emergence of Ferroelectricity in Halide Perovskites', Small Methods, vol. 4, http://dx.doi.org/10.1002/smtd.202000149
2020
Shenoy J; Hart JN; Grau-Crespo R; Allan NL; Cazorla C, 2019, 'Mixing Thermodynamics and Photocatalytic Properties of GaP–ZnS solid solutions', Advanced Theory and Simulations, vol. 2, http://dx.doi.org/10.1002/adts.201800146
2019
Cazorla Silva C, 2019, 'Refrigeration based on plastic crystals', Nature, vol. 567, pp. 470 - 471, http://dx.doi.org/10.1038/d41586-019-00974-5
2019
Lai Q; Sun Y; Wang T; Modi P; Cazorla C; Demirci UB; Ares Fernandez JR; Leardini F; Aguey-Zinsou KF, 2019, 'How to Design Hydrogen Storage Materials? Fundamentals, Synthesis, and Storage Tanks', Advanced Sustainable Systems, vol. 3, http://dx.doi.org/10.1002/adsu.201900043
2019
Zhang X; Marianov A; Jiang Y; Cazorla C; Chu D, 2019, 'Hierarchically Constructed Silver Nanowire@Nickel-Iron Layered Double Hydroxide Nanostructures for Electrocatalytic Water Splitting', ACS Applied Nano Materials, http://dx.doi.org/10.1021/acsanm.9b02457
2019
Mofarah SS; Adabifiroozjaei E; Pardehkhorram R; Assadi MHN; Hinterstein M; Yao Y; Liu X; Ghasemian MB; Kalantar‐Zadeh K; Mehmood R; Cazorla C; Shahmiri R; Bahmanrokh G; Bhattacharyya S; Spadaro MC; Arbiol J; Lim S; Xu Y; Arandiyan H; Scott J; Koshy P; Sorrell CC, 2019, '2D Materials: Coordination Polymer to Atomically Thin, Holey, Metal‐Oxide Nanosheets for Tuning Band Alignment (Adv. Mater. 52/2019)', Advanced Materials, vol. 31, pp. 1970370 - 1970370, http://dx.doi.org/10.1002/adma.201970370
2019
Cazorla C; Ganduglia-Pirovano MV; Carrasco J, 2019, 'Editorial: The Role of Non-stoichiometry in the Functional Properties of Oxide Materials', Frontiers in Chemistry, vol. 7, http://dx.doi.org/10.3389/fchem.2019.00547
2019
Ruiz-Fuertes J; Ibáñez J; Monteseguro V; Alencar I; Cazorla C, 2019, 'Reversible Tuning of Ca Nanoparticles Embedded in a Superionic CaF2 Matrix', Journal of Physical Chemistry C, vol. 123, pp. 19945 - 19951, http://dx.doi.org/10.1021/acs.jpcc.9b04791
2019
Anzellini S; Errandonea D; Cazorla C; MacLeod S; Monteseguro V; Boccato S; Bandiello E; Anichtchenko DD; Popescu C; Beavers CM, 2019, 'Thermal equation of state of ruthenium characterized by resistively heated diamond anvil cell', Scientific Reports, vol. 9, pp. 14459, http://dx.doi.org/10.1038/s41598-019-51037-8
2019
Kong S; Kumar N; Checchia S; Cazorla C; Daniels J, 2019, 'Defect-Driven Structural Distortions at the Surface of Relaxor Ferroelectrics', Advanced Functional Materials, vol. 29, http://dx.doi.org/10.1002/adfm.201900344
2019
Sagotra AK; Chu D; Cazorla C, 2019, 'Influence of lattice dynamics on lithium-ion conductivity: A first-principles study', PRMATERIALS, vol. 3, pp. 035405, http://dx.doi.org/10.1103/PhysRevMaterials.3.035405
2019
Mohanty HS; Dam T; Borkar H; Pradhan DK; Mishra KK; Kumar A; Sahoo B; Kulriya PK; Cazorla C; Scott JF; Pradhan DK, 2019, 'Structural transformations and physical properties of (1 - X) Na 0.5 Bi 0.5 TiO 3 - X BaTiO 3 solid solutions near a morphotropic phase boundary', Journal of Physics Condensed Matter, vol. 31, pp. 075401, http://dx.doi.org/10.1088/1361-648X/aaf405
2019
S. Mofarah S; Adabifiroozjaei E; Yao Y; Koshy P; Lim S; Webster R; Liu X; Khayyam Nekouei R; Cazorla C; Liu Z; Wang Y; Lambropoulos N; Sorrell CC, 2019, 'Proton-assisted creation of controllable volumetric oxygen vacancies in ultrathin CeO2−x for pseudocapacitive energy storage applications', Nature Communications, vol. 10, http://dx.doi.org/10.1038/s41467-019-10621-2
2019
Sattar MA; Ahmad SA; Hussain F; Cazorla C, 2019, 'First-principles prediction of magnetically ordered half-metals above room temperature', Journal of Materiomics, vol. 5, pp. 404 - 412, http://dx.doi.org/10.1016/j.jmat.2019.04.003
2019
Cazorla C; Gould T, 2019, 'Polymorphism of bulk boron nitride', Science Advances, vol. 5, http://dx.doi.org/10.1126/sciadv.aau5832
2019
Cazorla C, 2019, 'Novel mechanocaloric materials for solid-state cooling applications', Applied Physics Reviews, vol. 6, http://dx.doi.org/10.1063/1.5113620
2019
Mofarah SS; Adabifiroozjaei E; Pardehkhorram R; Assadi MHN; Hinterstein M; Yao Y; Liu X; Ghasemian MB; Kalantar-Zadeh K; Mehmood R; Cazorla C; Shahmiri R; Bahmanrokh G; Bhattacharyya S; Spadaro MC; Arbiol J; Lim S; Xu Y; Arandiyan H; Scott J; Koshy P; Sorrell CC, 2019, 'Coordination Polymer to Atomically Thin, Holey, Metal-Oxide Nanosheets for Tuning Band Alignment', Advanced Materials, vol. 31, pp. 1905288 - 1905288, http://dx.doi.org/10.1002/adma.201905288
2019
Cazorla Silva C; Daniel E, 2018, 'Comment on “High-pressure phases of group-II difluorides: Polymorphism and superionicity”', Physical review B: Condensed matter and materials physics, vol. 98, pp. 186101 - 186101, http://dx.doi.org/10.1103/PhysRevB.98.186101
2018
Lai Q; Rawal A; Quadir MZ; Cazorla C; Demirci UB; Aguey-Zinsou K-F, 2018, 'Hydrogen Storage Materials: Nanosizing Ammonia Borane with Nickel: A Path toward the Direct Hydrogen Release and Uptake of BNH Systems (Adv. Sustainable Syst. 4/2018)', Advanced Sustainable Systems, vol. 2, pp. 1870028 - 1870028, http://dx.doi.org/10.1002/adsu.201870028
2018
Hu S; Cazorla C; Xiang F; Ma H; Wang J; Wang J; Wang X; Ulrich C; Chen L; Seidel J, 2018, 'Strain control of giant magnetic anisotropy in metallic perovskite SrCoO3-δ thin films', ACS Applied Materials and Interfaces, vol. 10, pp. 22348 - 22355, http://dx.doi.org/10.1021/acsami.8b03553
2018
Cazorla Silva C; Errandonea D; Sagotra AK, 2018, 'High-Pressure Phase Diagram and Superionicity of Alkaline Earth Metal Difluorides', Journal of Physical Chemistry C, vol. 122, pp. 1267 - 1278, http://dx.doi.org/10.1021/acs.jpcc.7b10975
2018
Cazorla Silva C; S. Rahman ; C. Menendez ; D. Errandonea ; L. Wang , 2018, 'Pressure-induced structural and semiconductor-semiconductor transitions in Co0.5Mg0.5Cr2O4', Physical review B: Condensed matter and materials physics, vol. 97, pp. 174102 - 174102, http://dx.doi.org/10.1103/PhysRevB.97.174102
2018
Cazorla Silva C; Jorge I, 2018, 'Giant direct and inverse electrocaloric effects in multiferroic thin films', Physical review B: Condensed matter and materials physics, vol. 98, pp. 174105 - 174105, http://dx.doi.org/10.1103/PhysRevB.98.174105
2018
Wan T; Qu B; Du H; Lin X; Lin Q; Wang D; Cazorla C; Li S; Liu S; Chu D, 2018, 'Digital to analog resistive switching transition induced by graphene buffer layer in strontium titanate based devices', Journal of Colloid and Interface Science, vol. 512, pp. 767 - 774, http://dx.doi.org/10.1016/j.jcis.2017.10.113
2018
Sagotra AK; Chu D; Cazorla C, 2018, 'Room-temperature mechanocaloric effects in lithium-based superionic materials', Nature Communications, vol. 9, pp. 3337, http://dx.doi.org/10.1038/s41467-018-05835-9
2018
Xu Z; Younis A; Cazorla C; Yi J; Chu D; Li S, 2018, 'Engineering cationic defects in transparent tin oxide superlattices', Materials & Design, vol. 155, pp. 71 - 76, http://dx.doi.org/10.1016/j.matdes.2018.05.061
2018
Cazorla Silva C; Sempere S; Boronat J; Serra A, 2018, 'Dislocation Structure and Mobility in Hcp Rare-Gas Solids: Quantum versus Classical', Crystals, vol. 8, pp. 64 - 64, http://dx.doi.org/10.3390/cryst8020064
2018
Sagotra AK; Errandonea D; Cazorla C, 2017, 'Mechanocaloric effects in superionic thin films from atomistic simulations', Nature Communications, vol. 8, http://dx.doi.org/10.1038/s41467-017-01081-7
2017
Cazorla C; Diéguez O; Íñiguez J, 2017, 'Multiple structural transitions driven by spin-phonon couplings in a perovskite oxide', Science Advances, vol. 3, http://dx.doi.org/10.1126/sciadv.1700288
2017
Cazorla C; Boronat J, 2017, 'Simulation and understanding of atomic and molecular quantum crystals', Reviews of Modern Physics, vol. 89, http://dx.doi.org/10.1103/RevModPhys.89.035003
2017
Hu S; Wang Y; Cazorla C; Seidel J, 2017, 'Strain-Enhanced Oxygen Dynamics and Redox Reversibility in Topotactic SrCoO3-δ (0 < δ ≤ 0.5)', Chemistry of Materials, vol. 29, pp. 708 - 717, http://dx.doi.org/10.1021/acs.chemmater.6b04360
2017
Heo Y; Hu S; Sharma P; Kim KE; Jang BK; Cazorla C; Yang CH; Seidel J, 2017, 'Impact of Isovalent and Aliovalent Doping on Mechanical Properties of Mixed Phase BiFeO3', ACS Nano, vol. 11, pp. 2805 - 2813, http://dx.doi.org/10.1021/acsnano.6b07869
2017
Sagotra AK; Cazorla C, 2017, 'Stress-Mediated Enhancement of Ionic Conductivity in Fast-Ion Conductors', ACS Applied Materials and Interfaces, vol. 9, pp. 38773 - 38783, http://dx.doi.org/10.1021/acsami.7b11687
2017
Cazorla C, 2017, 'Lattice Effects on the Formation of Oxygen Vacancies in Perovskite Thin Films', Physical Review Applied, vol. 7, http://dx.doi.org/10.1103/PhysRevApplied.7.044025
2017
Cazorla Silva C; A. Aznar, ; P. Lloveras ; M. Romanini ; M. Barrio ; J. Ll. Tamarit ; D. Errandonea ; N. D. Mathur ; A. Planes ; X. Moya ; Ll. Manosa , 2017, 'Giant barocaloric effects over a wide temperature range in superionic conductor AgI', Nature Communications, vol. 8, pp. 1851 - 1851, http://dx.doi.org/10.1038/s41467-017-01898-2
2017
Cazorla Silva C; Lai Q; Rawal A; Quadir MZ; Demirci UB; Aguey-Zinsou K, 2017, 'Nanosizing Ammonia Borane with Nickel: A Path toward the Direct Hydrogen Release and Uptake of B-N-H Systems', Advanced Sustainable Systems, vol. 1, pp. 1700122 - 1700122, http://dx.doi.org/10.1002/adsu.201700122
2017
Cazorla Silva C; Benjamin Wolba ; Jan Seidel ; Christian Godau ; Alexander Haußmann ; Lukas M. Eng , 2017, 'Resistor Network Modeling of Conductive Domain Walls in Lithium Niobate', Advanced Electronic Materials, vol. 4, pp. 1700242 - 1700242, http://dx.doi.org/10.1002/aelm.201700242
2017
Rivero P; Cazorla C, 2016, 'Revisiting the zero-temperature phase diagram of stoichiometric SrCoO 3 with first-principles methods', Phys. Chem. Chem. Phys., vol. 18, pp. 30686 - 30695, http://dx.doi.org/10.1039/C6CP06191E
2016
Cazorla C, 2016, 'Electrostatic tuning of oxygen octahedral rotations in ferroelectric perovskites', Results in Physics, vol. 6, pp. 534 - 535, http://dx.doi.org/10.1016/j.rinp.2016.08.004
2016
Cazorla C; Errandonea D, 2016, 'Giant Mechanocaloric Effects in Fluorite-Structured Superionic Materials', Nano Letters, vol. 16, pp. 3124 - 3129, http://dx.doi.org/10.1021/acs.nanolett.6b00422
2016
Acosta M; Schmitt LA; Cazorla C; Studer A; Zintler A; Glaum J; Kleebe HJ; Donner W; Hoffman M; Rödel J; Hinterstein M, 2016, 'Piezoelectricity and rotostriction through polar and non-polar coupled instabilities in bismuth-based piezoceramics', Scientific Reports, vol. 6, http://dx.doi.org/10.1038/srep28742
2016
Cazorla Silva C; Magleod SG; Errandonea D; Munro KA; McMahon MI; Popescu C, 2016, 'Thallium under extreme compression', Journal of Physics: Condensed Matter, vol. 28, pp. 445401 - 445401, http://dx.doi.org/10.1088/0953-8984/28/44/445401
2016
Cazorla C; MacLeod SG; Errandonea D; Munro KA; McMahon MI; Popescu C, 2016, 'Thallium under extreme compression', JOURNAL OF PHYSICS-CONDENSED MATTER, vol. 28, http://dx.doi.org/10.1088/0953-8984/28/44/445401
2016
Cazorla C; Boronat J, 2015, 'First-principles modeling of three-body interactions in highly compressed solid helium', Physical Review B - Condensed Matter and Materials Physics, vol. 92, http://dx.doi.org/10.1103/PhysRevB.92.224113
2015
Cazorla C, 2015, 'The role of density functional theory methods in the prediction of nanostructured gas-adsorbent materials', Coordination Chemistry Reviews, vol. 300, pp. 142 - 163, http://dx.doi.org/10.1016/j.ccr.2015.05.002
2015
Cazorla C; Boronat J, 2015, 'First-principles modeling of quantum nuclear effects and atomic interactions in solid ⁴Ηe at high pressure', Physical Review B, vol. 91, pp. 024103-1 - 024103-9, http://dx.doi.org/10.1103/PhysRevB.91.024103
2015
Cazorla C, 2015, 'In the search of new electrocaloric materials: Fast ion conductors', Results in Physics, vol. 5, pp. 262 - 263, http://dx.doi.org/10.1016/j.rinp.2015.09.006
2015
Cazorla C; Stengel M, 2015, 'Electrostatic engineering of strained ferroelectric perovskites from first principles', Physical Review B - Condensed Matter and Materials Physics, vol. 92, http://dx.doi.org/10.1103/PhysRevB.92.214108
2015
Lutsyshyn Y; Astrakharchik GE; Cazorla C; Boronat J, 2014, 'Quantum phase transition with a simple variational ansatz', Physical Review B - Condensed Matter and Materials Physics, vol. 90, http://dx.doi.org/10.1103/PhysRevB.90.214512
2014
Cazorla C; Boronat J, 2014, 'The Limit of Mechanical Stability in Quantum Crystals: A Diffusion Monte Carlo Study of Solid 4He', Journal of Low Temperature Physics, vol. 180, pp. 20 - 28, http://dx.doi.org/10.1007/s10909-014-1238-x
2014
Cazorla C; Stengel M, 2014, 'Ab initio design of charge-mismatched ferroelectric superlattices', Physical Review B - Condensed Matter and Materials Physics, vol. 90, http://dx.doi.org/10.1103/PhysRevB.90.020101
2014
Cazorla C; Errandonea D, 2014, 'Superionicity and polymorphism in calcium fluoride at high pressure', Physical Review Letters, vol. 113, http://dx.doi.org/10.1103/PhysRevLett.113.235902
2014
Cazorla C; Shevlin SA, 2013, 'Accuracy of density functional theory in the prediction of carbon dioxide adsorbent materials', Dalton Transactions, vol. 42, pp. 4670 - 4676, http://dx.doi.org/10.1039/c3dt32713b
2013
Carbonell-Coronado C; De Soto F; Cazorla C; Boronat J; Gordillo MC, 2013, 'H2 physisorbed on graphane', Journal of Low Temperature Physics, vol. 171, pp. 619 - 625, http://dx.doi.org/10.1007/s10909-012-0828-8
2013
Cazorla C; Errandonea D, 2013, 'High-pressure, high-temperature phase diagram of calcium fluoride from classical atomistic simulations', Journal of Physical Chemistry C, vol. 117, pp. 11292 - 11301, http://dx.doi.org/10.1021/jp401577j
2013
Cazorla C; Lutsyshyn Y; Boronat J, 2013, 'Elastic constants of incommensurate solid 4He from diffusion Monte Carlo simulations', Physical Review B - Condensed Matter and Materials Physics, vol. 87, http://dx.doi.org/10.1103/PhysRevB.87.214522
2013
Carbonell-Coronado C; De Soto F; Cazorla C; Boronat J; Gordillo MC, 2013, 'Zero-temperature phase diagram of D2 physisorbed on graphane', Journal of Physics Condensed Matter, vol. 25, http://dx.doi.org/10.1088/0953-8984/25/44/445011
2013
Cazorla C; Íñiguez J, 2013, 'Insights into the phase diagram of bismuth ferrite from quasiharmonic free-energy calculations', Physical Review B - Condensed Matter and Materials Physics, vol. 88, http://dx.doi.org/10.1103/PhysRevB.88.214430
2013
Cazorla C; Boronat J, 2013, 'Possible superfluidity of molecular hydrogen in a two-dimensional crystal phase of sodium', Physical Review B - Condensed Matter and Materials Physics, vol. 88, http://dx.doi.org/10.1103/PhysRevB.88.224501
2013
Cazorla C; Stengel M, 2012, 'First-principles modeling of Pt/LaAlO 3/SrTiO 3 capacitors under an external bias potential', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.075426
2012
Cazorla C; Alfè D; Gillan MJ, 2012, 'Constraints on the phase diagram of molybdenum from first-principles free-energy calculations', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.064113
2012
Rota R; Lutsyshyn Y; Cazorla C; Boronat J, 2012, 'A microscopic description of vacancies in solid 4He', Journal of Low Temperature Physics, vol. 168, pp. 150 - 161, http://dx.doi.org/10.1007/s10909-012-0616-5
2012
Shevlin SA; Cazorla C; Guo ZX, 2012, 'Structure and defect chemistry of low- and high-temperature phases of LiBH 4', Journal of Physical Chemistry C, vol. 116, pp. 13488 - 13496, http://dx.doi.org/10.1021/jp3014805
2012
Cazorla C; Rojas-Cervellera V; Rovira C, 2012, 'Calcium-based functionalization of carbon nanostructures for peptide immobilization in aqueous media', Journal of Materials Chemistry, vol. 22, pp. 19684 - 19693, http://dx.doi.org/10.1039/c2jm33811d
2012
Cazorla C; Lutsyshyn Y; Boronat J, 2012, 'Elastic constants of solid 4He under pressure: Diffusion Monte Carlo study', Physical Review B - Condensed Matter and Materials Physics, vol. 85, http://dx.doi.org/10.1103/PhysRevB.85.024101
2012
Gordillo MC; Cazorla C; Boronat J, 2011, 'Supersolidity in quantum films adsorbed on graphene and graphite', Physical Review B - Condensed Matter and Materials Physics, vol. 83, http://dx.doi.org/10.1103/PhysRevB.83.121406
2011
Alfè D; Cazorla C; Gillan MJ, 2011, 'The kinetics of homogeneous melting beyond the limit of superheating', Journal of Chemical Physics, vol. 135, http://dx.doi.org/10.1063/1.3605601
2011
Cazorla C; Alfè D; Gillan MJ, 2011, 'A simple tight-binding model for the study of 4d transition metals under pressure', Computational Materials Science, vol. 50, pp. 2732 - 2735, http://dx.doi.org/10.1016/j.commatsci.2011.04.030
2011
Cazorla C; Shevlin SA; Guo ZX, 2011, 'Calcium-based functionalization of carbon materials for CO2 capture: A first-principles computational study', Journal of Physical Chemistry C, vol. 115, pp. 10990 - 10995, http://dx.doi.org/10.1021/jp201786h
2011
Cazorla C; Shevlin SA; Guo ZX, 2010, 'First-principles study of the stability of calcium-decorated carbon nanostructures', Physical Review B - Condensed Matter and Materials Physics, vol. 82, http://dx.doi.org/10.1103/PhysRevB.82.155454
2010
Cazorla C, 2010, 'Ab initio study of the binding of collagen amino acids to graphene and A-doped (A = H, Ca) graphene', Thin Solid Films, vol. 518, pp. 6951 - 6961, http://dx.doi.org/10.1016/j.tsf.2010.06.068
2010
Cazorla C; Astrakharchik GE; Casulleras J; Boronat J, 2010, 'Ground-state properties and superfluidity of two-and quasi-two-dimensional solid4He', Journal of Physics Condensed Matter, vol. 22, http://dx.doi.org/10.1088/0953-8984/22/16/165402
2010
Cazorla C; Errandonea D, 2010, 'Ab initio study of compressed Ar(H2(2: Structural stability and anomalous melting', Physical Review B - Condensed Matter and Materials Physics, vol. 81, http://dx.doi.org/10.1103/PhysRevB.81.104108
2010
Lutsyshyn Y; Cazorla C; Astrakharchik GE; Boronat J, 2010, 'Properties of vacancy formation in hcp 4He crystals at zero temperature and fixed pressure', Physical Review B - Condensed Matter and Materials Physics, vol. 82, http://dx.doi.org/10.1103/PhysRevB.82.180506
2010
Lutsyshyn Y; Cazorla C; Boronat J, 2010, 'Instability of vacancy clusters in solid 4He', Journal of Low Temperature Physics, vol. 158, pp. 608 - 614, http://dx.doi.org/10.1007/s10909-009-0004-y
2010
Cazorla C; Astrakharchik GE; Casulleras J; Boronat J, 2009, 'Bose-Einstein quantum statistics and the ground state of solid 4He', New Journal of Physics, vol. 11, http://dx.doi.org/10.1088/1367-2630/11/1/013047
2009
Cazorla C; Alf̀ D; Gillan MJ, 2009, 'Melting properties of a simple tight-binding model of transition metals. I. the region of half-filled d -band', Journal of Chemical Physics, vol. 130, http://dx.doi.org/10.1063/1.3126683
2009
Cazorla C; Errandonea D; Sola E, 2009, 'High-pressure phases, vibrational properties, and electronic structure of Ne (He) 2 and Ar (He) 2: A first-principles study', Physical Review B - Condensed Matter and Materials Physics, vol. 80, http://dx.doi.org/10.1103/PhysRevB.80.064105
2009
Cazorla C; Alfè D; Gillan MJ, 2008, 'Zero-temperature generalized phase diagram of the 4d transition metals under pressure', Physical Review B - Condensed Matter and Materials Physics, vol. 77, http://dx.doi.org/10.1103/PhysRevB.77.224103
2008
Cazorla C; Alfè D; Gillan MJ, 2008, 'Comment on "molybdenum at high pressure and temperature: Melting from another solid phase"', Physical Review Letters, vol. 101, http://dx.doi.org/10.1103/PhysRevLett.101.049601
2008
Cazorla C; Gillan MJ; Taioli S; Alfè D, 2008, 'Melting curve and Hugoniot of molybdenum up to 400 GPa by ab initio simulations', Journal of Physics: Conference Series, vol. 121, http://dx.doi.org/10.1088/1742-6596/121/1/012009
2008
Cazorla C; Boronat J, 2008, 'Two-dimensional molecular para-hydrogen and ortho-deuterium at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 78, http://dx.doi.org/10.1103/PhysRevB.78.134509
2008
Taioli S; Cazorla C; Gillan MJ; Alfè D, 2008, 'Ab-initio melting curve and principal Hugoniot of tantalum', Journal of Physics: Conference Series, vol. 121, http://dx.doi.org/10.1088/1742-6596/121/1/012010
2008
Cazorla C; Boronat J, 2008, 'Atomic kinetic energy, momentum distribution, and structure of solid neon at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 77, http://dx.doi.org/10.1103/PhysRevB.77.024310
2008
Cazorla C; Boronat J, 2008, 'Zero-temperature equation of state of solid 4He at low and high pressures', Journal of Physics Condensed Matter, vol. 20, http://dx.doi.org/10.1088/0953-8984/20/01/015223
2008
Cazorla C; Gillan MJ; Taioli S; Alfè D, 2007, 'Ab initio melting curve of molybdenum by the phase coexistence method', Journal of Chemical Physics, vol. 126, http://dx.doi.org/10.1063/1.2735324
2007
Taioli S; Cazorla C; Gillan MJ; Alfè D, 2007, 'Melting curve of tantalum from first principles', Physical Review B - Condensed Matter and Materials Physics, vol. 75, http://dx.doi.org/10.1103/PhysRevB.75.214103
2007
Cazorla C; Boronat J, 2006, 'Superfluidity versus localization in bulk He4 at zero temperature', Physical Review B - Condensed Matter and Materials Physics, vol. 73, http://dx.doi.org/10.1103/PhysRevB.73.224515
2006
Cazorla C; Boronat J, 2005, 'Isotopic effects in solid LiH and LiD at very low temperature', Journal of Low Temperature Physics, vol. 139, pp. 645 - 650, http://dx.doi.org/10.1007/s10909-005-5452-4
2005
Vranješ L; Boronat J; Casulleras J; Cazorla C, 2005, 'Quantum Monte Carlo simulation of overpressurized liquid He4', Physical Review Letters, vol. 95, http://dx.doi.org/10.1103/PhysRevLett.95.145302
2005
Cazorla C; Boronat J, 2004, 'Quantum Monte Carlo study of two-dimensional H2 on a Rb substrate', Journal of Low Temperature Physics, vol. 134, pp. 43 - 48, http://dx.doi.org/10.1023/b:jolt.0000012532.05904.50
2004
Boronat J; Cazorla C; Colognesi D; Zoppi M, 2004, 'Quantum hydrogen vibrational dynamics in LiH: Neutron-scattering measurements and variational Monte Carlo simulations', Physical Review B - Condensed Matter and Materials Physics, vol. 69, http://dx.doi.org/10.1103/PhysRevB.69.174302
2004
Conference Papers
add
Shevlin S; Wang Y; Guo Z-X; Cazorla C; Aguey-Zinsou F, 2012, 'Combined experimental and theoretical studies on prospective hydrogen storage and carbon dioxide capture materials', in ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, AMER CHEMICAL SOC, San Diego, CA, presented at 11th International Biorelated Polymer Symposium / 243rd National Spring Meeting of the American-Chemical-Society (ACS), San Diego, CA, 25 March 2012 - 29 March 2012, http://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcApp=PARTNER_APP&SrcAuth=LinksAMR&KeyUT=WOS:000324475105640&DestLinkType=FullRecord&DestApp=ALL_WOS&UsrCustomerID=891bb5ab6ba270e68a29b250adbe88d1
2012
Cazorla C; Binnie S; Alfe D; Gillan MJ, 2008, 'Effect of the exchange-correlation energy and temperature on the generalized phase diagram of the 4d transition metals', in High Pressure Research, pp. 449 - 453, http://dx.doi.org/10.1080/08957950802506925
2008
Markić LV; Boronat J; Casulleras J; Cazorla C, 2006, 'Quantum Monte Carlo study of overpressurized liquid 4He at zero temperature', in International Journal of Modern Physics B, pp. 5154 - 5163, http://dx.doi.org/10.1142/s0217979206036211
2006
Markic LV; Boronat J; Casulleras J; Cazorla C, 2005, 'Quantum Monte Carlo study of overpressurized liquid He-4 at zero temperature', in Hernandez S; Cataldo H (ed.), RECENT PROGRESS IN MANY-BODY THEORIES, PROCEEDINGS, WORLD SCIENTIFIC PUBL CO PTE LTD, Univ Buenos Aires, Buenos Aires, ARGENTINA, pp. 190 - +, presented at 13th International Conference on Recent Progress in Many-Body Theories, Univ Buenos Aires, Buenos Aires, ARGENTINA, 05 December 2005 - 09 December 2005, http://dx.doi.org/10.1142/9789812772787_0021
2005