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Grand canonical Monte Carlo simulations of the hydrogen and methane storage capacities of novel but MOFs at room temperature

Cabria Álvaro, Iván (2023)
First principles determination of static, dynamic and electronic properties of some liquid 4d transition metals near melting

González Tesedo, Luis Enrique ; González Fernández, David José (2022)
Grand Canonical Monte Carlo simulations of the hydrogen storage capacities of slit-shaped pores, nanotubes and torusenes

Caviedes Velasco, David; Cabria Álvaro, Iván (2022)
Static structure, collective dynamics and transport coefficients in the liquid Li-Pb alloy. An ab initio molecular dynamics study

Alemany, M. M. G.; Souto Casares, Jaime; González Tesedo, Luis Enrique ; González Fernández, David José (2021)
A neural network potential for searching the atomic structures of pure and mixed nanoparticles. Application to ZnMg nanoalloys with an eye on their anticorrosive properties

Álvarez Zapatero, Pablo ; Vega Hierro, Andrés ; Aguado Rodríguez, Andrés (2021)