Alfredo Pasquarello

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials

Paolo Giannozzi, Stefano Baroni, Nicola Bonini et al. · Journal of Physics Condensed Matter · 2009 · 28K citations · Full text

Engineering, Material Simulation, Computational Chemistry +19

Car-Parrinello molecular dynamics with Vanderbilt ultrasoft pseudopotentials

Kari Laasonen, Alfredo Pasquarello, Roberto Car et al. · Physical review. B, Condensed matter · 1993 · 1.4K citations · Full text

Engineering, Computational Chemistry, Ultrasoft Pseudopotentials +16

Organic Cathode for Aqueous Zn-Ion Batteries: Taming a Unique Phase Evolution toward Stable Electrochemical Cycling

Dipan Kundu, Pascal Oberholzer, Christos Glaros et al. · Chemistry of Materials · 2018 · 487 citations · Full text

Engineering, Chemistry, Operando X-ray Diffraction +16

Finite-size supercell correction schemes for charged defect calculations

Hannu‐Pekka Komsa, Tapio T. Rantala, Alfredo Pasquarello · Physical Review B · 2012 · 471 citations · Full text

Numerical Analysis, Electrical Engineering, Physical Design (Electronics) +15

Identification of Raman Defect Lines as Signatures of Ring Structures in Vitreous Silica

Alfredo Pasquarello, Roberto Car · Physical Review Letters · 1998 · 406 citations · Full text

Engineering, Surface-enhanced Raman Scattering, Chemistry +19