Publications (128) Publications de AITOR BERGARA JAUREGUI

2024

  1. Bending rigidity, sound propagation and ripples in flat graphene

    Nature Physics, Vol. 20, Núm. 8, pp. 1288-1293

  2. C6N2S monolayer: an auxetic material with ultralow diffusion barrier and high storage capacity for potassium-ion batteries

    Journal of Materials Chemistry A, Vol. 12, Núm. 28, pp. 17557-17564

  3. Design of high-temperature superconductors at moderate pressures by alloying AlH3 or GaH3

    Matter and Radiation at Extremes, Vol. 9, Núm. 1

  4. Identification of Riluzole derivatives as novel calmodulin inhibitors with neuroprotective activity by a joint synthesis, biosensor, and computational guided strategy

    Biomedicine and Pharmacotherapy, Vol. 174

  5. MLe-KCNQ2: An Artificial Intelligence Model for the Prognosis of Missense KCNQ2 Gene Variants

    International Journal of Molecular Sciences, Vol. 25, Núm. 5

  6. Superconducting Ce2P3 and CeP2 with an interesting planar P layer

    Journal of Materials Chemistry C, Vol. 12, Núm. 7, pp. 2526-2533

  7. Superconducting skutterudite-like CeP3

    Physical Review B, Vol. 109, Núm. 5

  8. Superconductivity in L i8 Hn electrides: The effect of interstitial anionic electrons on electron-phonon coupling

    Physical Review B, Vol. 109, Núm. 13

2023

  1. A Janus CrSSe monolayer with interesting ferromagnetism

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 43, pp. 29672-29679

  2. Designing ternary superconducting hydrides with A15-type structure at moderate pressures

    Materials Today Physics, Vol. 34

  3. Emergent superconductivity in TaO3 at high pressures

    Physical Chemistry Chemical Physics, Vol. 25, Núm. 35, pp. 23502-23509

  4. Interstitial anionic electrons favoring superconductivity in Li-As electrides

    Physical Review B, Vol. 108, Núm. 10

  5. Molecular dynamics simulations of the calmodulin-induced α-helix in the SK2 calcium-gated potassium ion channel

    Journal of Biological Chemistry, Vol. 299, Núm. 2

  6. Prediction of monolayer Fe P4 with intrinsic half-metal ferrimagnetism above room temperature

    Physical Review B, Vol. 107, Núm. 2

  7. Pressure-induced evolution of stoichiometries and electronic structures of host-guest Na-B compounds

    Matter and Radiation at Extremes, Vol. 8, Núm. 6

  8. Superconductivity in Li8Au electride

    Physical Review B, Vol. 107, Núm. 10

2022

  1. Enhanced superconductivity in CuH2 monolayers

    Physical Review B, Vol. 106, Núm. 1

  2. Intrinsic Ferromagnetism in 2D Fe2H with a High Curie Temperature

    ACS Applied Materials and Interfaces, Vol. 14, Núm. 39, pp. 44745-44752

  3. Structural and electronic properties of Na-B-H compounds at high pressure

    Physical Review B, Vol. 106, Núm. 17

  4. Superconducting LaP2H2 with graphenelike phosphorus layers

    Physical Review B, Vol. 105, Núm. 2