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Modelizado y Simulación Computacional
CIC energiGUNE

Conferencias

  • SIAM MS2020
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Computational exploration of energy storage materials using theoretical chemistry and machine learning )
  • ICACC2020 (44th International Conference and Exposition on Advanced Ceramics and Composites)
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Understanding Li-ion transport and conductivity in Ga- and Alsubstituted garnet-type Li La Zr O solid electrolytes using atomistic simulations)
  • 2019 TechConnect World Innovation Conference and Expo
    • JAVIER CARRASCO RODRIGUEZ ( Talk: Computational screening of Li and Na fast ion conductors using high-throughput bond-valence calculations and machine-learning analysis)
  • Workshop on Precision Quantification in DFT
    • JIAN XIANG LIAN ( Poster: Role of Ti doping in the enhancement of Na-ion mobility in Na2/3Mn0.9Fe0.05Ti0.05O2 cathodes for Na-based batteries)
  • 2018 Energy Materials & Nanotechnology
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Ion insertion into 2D layered oxide structures for energy storage: A molecular-level perspective using first-principles calculations )
  • E-MRS Spring 2018
    • OIER ARCELUS ELCOROBARRUTIA ( Talk: First-Principles Study of Sodium Intercalation in Crystalline NaxSi24 (0 ≤ x ≤ 4) as Anode Material for Na-ion Batteries)
  • 11th RES Users' Meeting
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Molecular modelling, high performance computing, and the pursuit of better batteries)
  • Seminar at NIMTE
    • JAVIER CARRASCO RODRIGUEZ ( Seminar: Atomistic modelling of materials for rechargeable batteries )
  • Seminar at CSRC
    • JAVIER CARRASCO RODRIGUEZ ( Seminar: Atomistic modelling of materials for rechargeable batteries )
  • Ciclo de conferencias: Nuevos Aspectos en Química Inorgánica, Univ. Complutense se Madrid
    • NEBIL AYAPE KATCHO ( Talk: Difusión iónica en baterías de estado sólido: aproximaciones teóricas para el cálculo de barreras de difusión y su aplicación en la búsqueda de nuevos materiales)
  • 10th Red Española de Supercomputacion User's Conference
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Atomistic modelling studies of electrode materials for rechargeable lit)
  • Solid State Chemistry (GRS) Gordon-Kenan Research Seminar.- Strategies for Materials Discovery: New Functional Materials and Their Applications
    • JAVIER CARRASCO RODRIGUEZ ( Poster: First-principles study of crystal structure and stability of LixFe(NCN)2 and NaxFe(NCN)2)
  • Conference Ipolymorphs UPV Summer courses
    • JAVIER CARRASCO RODRIGUEZ ( Talk: Role of Polymorphism in the Electrochemical Behavior of Electrode Materials for Rechargeable Batteries: a First-Principles Perspective)
    • OIER ARCELUS ELCOROBARRUTIA ( Poster: Insight from first principles into the stability and magnetism of alkali-metal superoxide nanoclusters)
  • Seminar at Collège de France
    • NEBIL AYAPE KATCHO ( Seminar: Search of good Li and Na ionic conductors: High throughput calculations based on bond valence theory)
  • Psi-K 2015 Conference
    • ARIEL LOZANO ( Talk: Towards an atomistic understanding of sodium-ion batteries on the nanoscale)
    • NEBIL AYAPE KATCHO ( Poster: First principles study of P2 and O3 Na2/3Mn1/3Fe2/3O2 cathode materials: relative stability and atomic ordering)
    • JAVIER CARRASCO RODRIGUEZ ( Poster:Ion insertion into layered transition metal oxides for batteries: Insight from van der Waals density functional)
  • 9th USPEX workshop
    • NEBIL AYAPE KATCHO ( Poster: "Study of the Li atomic arrangement in li4PO3N by first principles and classical electrostatic simulations")
  • 4th Internationl Symposium on Ceramics Nanotune Technology (ISCeNT-4)
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: Advances in treating van der Waals forces in density functional theory: From adsorption of molecules on surfaces to ion insertion in sparse matter)
  • CECAM/Psi-K Research Conference: Frontiers of first-principles simulations: materials design and discovery
    • JAVIER CARRASCO RODRIGUEZ ( Poster: Role of van der Waals forces in alkali and alkaline-earth ion insertion into layered transition metal oxide electrodes for batteries)
  • IUMRS- ICYRAM 2014
    • JAVIER CARRASCO RODRIGUEZ ( Invited talk: The role of van der Waals forces in thermodynamics and kinetics of layered transition metal oxide electrodes: Alkali and alkaline-earth ion insertion into V2O5)
  • 3rd TYC Energy Materials Workshop: Materials for Electrpchemical Energy Storage
    • JAVIER CARRASCO RODRIGUEZ ( Poster: The role of van der Waals forces in thermodynamics and kinetics of layered transition metal oxide electrodes: Alkali and alkaline-earth ion insertion into V2O5)
  • COST Action CM1104, Reducible oxide chemistry, structure and functions
    • JAVIER CARRASCO RODRIGUEZ ( Poster :First-principles study of Na insertion/extraction in the FePO4-NaFePO4 system for cathode materials in Na-ion batteries)
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