Advances and applications in the FIREBALL ab initio tight‐binding molecular‐dynamics formalism JP Lewis, P Jelínek, J Ortega, AA Demkov, DG Trabada, B Haycock, ...
physica status solidi (b) 248 (9), 1989-2007, 2011
247 2011 Proton transfer in guanine-cytosine base pairs in B-DNA D Soler-Polo, JI Mendieta-Moreno, DG Trabada, J Mendieta, J Ortega
Journal of chemical theory and computation 15 (12), 6984-6991, 2019
26 2019 Quantum mechanics/molecular mechanics free energy maps and nonadiabatic simulations for a photochemical reaction in DNA: cyclobutane thymine dimer JI Mendieta-Moreno, DG Trabada, J Mendieta, JP Lewis, ...
The Journal of Physical Chemistry Letters 7 (21), 4391-4397, 2016
26 2016 Hydrogenation of semiconductor surfaces: Si-terminated cubic SiC (100) surfaces DG Trabada, F Flores, J Ortega
Physical Review B 80 (7), 075307, 2009
20 2009 Giant alkali-metal-induced lattice relaxation as the driving force of the insulating phase of alkali-metal/Si (111): B L Chaput, C Tournier-Colletta, L Cardenas, A Tejeda, B Kierren, ...
Physical Review Letters 107 (18), 187603, 2011
15 2011 Ultrafast Atomic Diffusion Inducing a Reversible W Srour, DG Trabada, JI Martinez, F Flores, J Ortega, M Abuín, ...
Physical Review Letters 114 (19), 196101, 2015
10 2015 Weak dimers and soft phonons on the β-SiC (100) surface DG Trabada, J Ortega
Journal of Physics: Condensed Matter 21 (18), 182003, 2009
7 2009 A practical quantum mechanics molecular mechanics method for the dynamical study of reactions in biomolecules JI Mendieta-Moreno, I Marcos-Alcalde, DG Trabada, P Gómez-Puertas, ...
Advances in Protein Chemistry and Structural Biology 100, 67-88, 2015
6 2015 DFT Molecular Dynamics and Free Energy Analysis of a Charge Density Wave Surface System JO Daniel G.Trabada, Jesús I.Mendieta-Moreno, DiegoSoler-Polo, FernandoFlores
Applied Surface Science, 2019
5 2019 Accurate ab initio determination of ballistic electron emission spectroscopy: Application to Au/Ge A Gerbi, C González, R Buzio, N Manca, D Marrè, LD Bell, DG Trabada, ...
Physical Review B 98 (20), 205416, 2018
5 2018 Metallization of the potassium overlayer on the β-SiC (100) c (4× 2) surface BJ Haycock, DG Trabada, J Ortega, JD O’Mahony, JP Lewis
Journal of Physics: Condensed Matter 24 (48), 485001, 2012
1 2012 Non-adiabatic QM/MM simulations of cyclobutane thymine dimer formation in DNA JI Mendieta-Moreno, DG Trabada, J Mendieta, JP Lewis, ...
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S224-S224, 2017
2017 Proton transfer in GC base pairs embedded in solvated DNA: Reaction mechanism and free energies D Soler-Polo, JI Mendieta-Moreno, DG Trabada, J Ortega
EUROPEAN BIOPHYSICS JOURNAL WITH BIOPHYSICS LETTERS 46, S231-S231, 2017
2017 Uso de hardware libre en el Máster de Formación del Profesorado de Secundaria (Especialidad Informática) G Botella Juan, D González, P Angulo, J López, FA Martínez, ...
Enseñanza y Aprendizaje de Ingeniería de Computadores, 79-87, 2011
2011 Efectos dinámicos en la superficie [beta]-SiC (100) DG Trabada
Efectos dinámicos en la superficie [beta]-SiC (100), 2009
2009 