All Stories

  1. Co-designing ab initio electronic structure methods on a RISC-V vector architecture

    Article • Open Research Europe, September 2025, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  2. The NOMAD mini-apps: A suite of kernels from ab initio electronic structure codes enabling co-design in high-performance computing

    Article • Open Research Europe, April 2025, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  3. Co-designing ab initio electronic structure methods on a RISC-V vector architecture

    Article • Open Research Europe, November 2024, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  4. Co-designing ab initio electronic structure methods on a RISC-V vector architecture

    Article • Open Research Europe, October 2024, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  5. Co-designing ab initio electronic structure methods on a RISC-V vector architecture

    Article • Open Research Europe, August 2024, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  6. The NOMAD mini-apps: A suite of kernels from ab initio electronic structure codes enabling co-design in high-performance computing

    Article • Open Research Europe, May 2024, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  7. Electrochemical synthesis of 2D-silver nanodendrites functionalized with cyclodextrin for SERS-based detection of herbicide MCPA

    Article • Nanotechnology, April 2024, Institute of Physics Publishing

    Dr Julio Gutiérrez Moreno

  8. Ab initio guided atomistic modelling of nanomaterials on exascale high-performance computing platforms

    Article • Nano Futures, March 2024, Institute of Physics Publishing

    Dr Julio Gutiérrez Moreno

  9. The NOMAD mini-apps: A suite of kernels from ab initio electronic structure codes enabling co-design in high-performance computing

    Article • Open Research Europe, February 2024, Faculty of 1000, Ltd.

    Dr Julio Gutiérrez Moreno

  10. Controlled Synthesis of Perforated Oxide Nanosheets with High Density Nanopores Showing Superior Water Purification Performance

    Article • ACS Applied Materials & Interfaces, April 2022, American Chemical Society (ACS)

    Dr. Aymeric Ramiere, Dr Julio Gutiérrez Moreno

  11. Origin of enhanced thermal atomic layer etching of amorphous HfO2

    Article • Journal of Vacuum Science & Technology A Vacuum Surfaces and Films, February 2022, American Vacuum Society

    Dr Julio Gutiérrez Moreno

  12. Lifetime effects and satellites in the photoelectron spectrum of tungsten metal

    Article • Physical Review B, January 2022, American Physical Society (APS)

    Dr Julio Gutiérrez Moreno

  13. Thermal and oxidation stability of TixW1−x diffusion barriers investigated by soft and hard x-ray photoelectron spectroscopy

    Article • Journal of Applied Physics, May 2021, American Institute of Physics

    Dr Julio Gutiérrez Moreno

  14. A synergetic promotion of sodium-ion storage in titania nanosheets by superlattice assembly with reduced graphene oxide and Fe-doping strategy

    Article • Chemical Engineering Journal, March 2021, Elsevier

    Dr Julio Gutiérrez Moreno

  15. Exceptionally high saturation magnetisation in Eu-doped magnetite stabilised by spin–orbit interaction

    Article • Physical Chemistry Chemical Physics, January 2021, Royal Society of Chemistry

    Dr Julio Gutiérrez Moreno

  16. A review of recent progress in thermoelectric materials through computational methods

    Article • Materials for Renewable and Sustainable Energy, August 2020, Springer Science + Business Media

    Dr Marco Fronzi, Dr Hussein Assadi, Dr Julio Gutiérrez Moreno

  17. Highly Sensitive SERS Detection of Neonicotinoid Pesticides. Complete Raman Spectral Assignment of Clothianidin and Imidacloprid

    Article • The Journal of Physical Chemistry A, July 2020, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  18. High-Performance Thermoelectric Oxides Based on Spinel Structure

    Article • ACS Applied Energy Materials, June 2020, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Hussein Assadi, Dr Julio Gutiérrez Moreno

  19. Computational Study of APTES Surface Functionalization of Diatom-like Amorphous SiO2 Surfaces for Heavy Metal Adsorption

    Article • Langmuir, April 2020, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  20. Highly Sensitive SERS Detection of Neonicotinoid Pesticides. Complete Raman Spectral Assignment of Clothianidin and Imidacloprid

    Article • March 2020, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  21. A computational study of APTES surface functionalization of diatom-like amorphous SiO2 surfaces for heavy metal adsorption

    Article • March 2020, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  22. Electronic Origin of α″ to β Phase Transformation in Ti-Nb-Based Thin Films upon Hf Microalloying

    Article • Materials, March 2020, MDPI AG

    Dr Julio Gutiérrez Moreno

  23. Graphene nano-flakes on Cu low-index surfaces by density functional theory and molecular dynamics simulations

    Article • January 2020, Elsevier

    Dr Julio Gutiérrez Moreno

  24. Direct Visualization of Independent Ta Centers Supported on Two-Dimensional TiO2 Nanosheets

    Article • Nano Letters, October 2019, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  25. Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

    Article • July 2019, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Julio Gutiérrez Moreno

  26. Structure, Stability and Water Adsorption on Ultra-Thin TiO2 Supported on TiN

    Article • July 2019, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  27. DFT investigation on the adsorption of H2O at ultra-thin TiO2 layers supported on TiN

    Article • Physical Chemistry Chemical Physics, January 2019, Royal Society of Chemistry

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  28. Mechanical properties of Ti-Nb alloys

    Article • Journal of Applied Physics, December 2018, American Institute of Physics

    Dr Julio Gutiérrez Moreno

  29. Characterization and Detection of Neonicotinoid Pesticides using Surface Enhanced Raman Spectroscopy and Nano-electrochemistry

    Article • October 2018, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  30. Characterization and Detection of Neonicotinoid Pesticides using Surface Enhanced Raman Spectroscopy and Nano-electrochemistry

    Article • October 2018, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  31. Stability of Adsorbed Water on TiO2–TiN Interfaces. A First-Principles and Ab Initio Thermodynamics Investigation

    Article • The Journal of Physical Chemistry C, June 2018, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno, Dr Marco Fronzi

  32. Stability of Adsorbed Water on TiO2-TiN Interfaces. A First Principles and Ab Initio Thermodynamics Investigation.

    Article • March 2018, American Chemical Society (ACS)

    Dr Marco Fronzi, Dr Julio Gutiérrez Moreno

  33. Ab Initio Study of the Atomic Level Structure of the Rutile TiO2(110)–Titanium Nitride (TiN) Interface

    Article • ACS Applied Materials & Interfaces, October 2017, American Chemical Society (ACS)

    Dr Julio Gutiérrez Moreno

  34. Ab-initio and experimental study of phase stability of Ti-Nb alloys

    Article • Journal of Alloys and Compounds, March 2017, Elsevier

    Dr Julio Gutiérrez Moreno

  35. Electronic origin and structural instabilities of Ti-based alloys suitable for orthopaedic implants

    Article • Journal of Physics and Chemistry of Solids, March 2017, Elsevier

    Dr Julio Gutiérrez Moreno

  36. The role of Sn doping in the β-type Ti–25at%Nb alloys: Experiment and ab initio calculations

    Article • Journal of Alloys and Compounds, December 2014, Elsevier

    Dr Julio Gutiérrez Moreno

  37. Elastic softening of β-type Ti–Nb alloys by indium (In) additions

    Article • Journal of the Mechanical Behavior of Biomedical Materials, November 2014, Elsevier

    Mr Matthias Bönisch, Dr Julio Gutiérrez Moreno