Journal - JOURNAL OF CHEMICAL PHYSICS

1. B. Gu, B. Cunningham, D. Munoz Santiburcio, F. Da Pieve, E. Artacho and J. Kohanoff
JOURNAL OF CHEMICAL PHYSICS 153, 34113 (2020)
Efficient ab initio calculation of electronic stopping in disordered systems via geometry pre-sampling: Application to liquid water

2. M. Oliveira, N. Papior, Y. Pouillon, V. Blum, E. Artacho, D. Caliste, F. Corsetti, S. de Gironcoli, A. Elena, A. Garcia, V. Garcia-Suarez, L. Genovese, W. Huhn, G. Huhs, S. Kokott, E. Kucukbenli, A. Larsen, A. Lazzaro, V. Lebedeva, Y. Li, D. Lopez-Duran, P. Lopez-Tarifa, M. Lueders, M. Marques, J. Minar, S. Mohr, A. Mostofi, A. O'Cais, M. Payne, T. Ruh, D. Smith, J. Soler, D. Strubbe, N. Tancogne-Dejean, D. Tildesley, M. Torrent and V. Yu
JOURNAL OF CHEMICAL PHYSICS 153, 24117 (2020)
The CECAM electronic structure library and the modular software development paradigm

3. A. García, N. Papior, A. Akhtar, E. Artacho, V. Blum, E. Bosoni, P. Brandimarte, M. Brandbyge, J. Cerdá, F. Corsetti, R. Cuadrado, V. Dikan, J. Ferrer, J. Gale, P. García-Fernández, V. García-Suárez, S. García, G. Huhs, S. Illera, R. Korytár, P. Koval, I. Lebedeva, L. Lin, P. López-Tarifa, S. G. Mayo, S. Mohr, P. Ordejón, A. Postnikov, Y. Pouillon, M. Pruneda, R. Robles, D. Sánchez-Portal, J. Soler, R. Ullah, V. Wen-zhe Yu and J. Junquera
JOURNAL OF CHEMICAL PHYSICS 152, 204108 (2020)
Siesta: Recent developments and applications

4. J. Zubeltzu and E. Artacho
JOURNAL OF CHEMICAL PHYSICS 147, 194509 (2017)
Simulations of water nano-confined between corrugated planes

5. K. Diller, R. Maurer, M. Mueller and K. Reuter
JOURNAL OF CHEMICAL PHYSICS 146, 214701 (2017)
Interpretation of x-ray absorption spectroscopy in the presence of surface hybridization

6. D. Choi, P. Abufager, L. Limot and N. Lorente
JOURNAL OF CHEMICAL PHYSICS 146, 092309 (2017)
From tunneling to contact in a magnetic atom: The non-equilibrium Kondo effect

7. A. Sirur, D. De Sancho and R. B. Best
JOURNAL OF CHEMICAL PHYSICS 144, 75101 (2016)
Markov state models of protein misfolding

9. F. Corsetti, E. Artacho, J. M. Soler, S. S. Alexandre and M. V. Fernandez-Serra
JOURNAL OF CHEMICAL PHYSICS 139, 194502 (2013)
Room temperature compressibility and diffusivity of liquid water from first principles

10. A. Lejardi, A. Eleta Lopez, J. R. Sarasua, U. B. Sleytr and J. L. Toca-Herrera
JOURNAL OF CHEMICAL PHYSICS 139, 121903 (2013)
Making novel bio-interfaces through bacterial protein recrystallization on biocompatible polylactide derivative films

Publications