Publications

2019

Robert Biele, Roberto D'Agosta; Beyond the State of the Art: Novel Approaches for Thermal and Electrical Transport in Nanoscale Devices, ENTROPY 2110.3390/e21080752
Stefano Di Sabatino, JA Berger, Pina Romaniello; Many-Body Effective Energy Theory: Photoemission at Strong Correlation, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15, 5080-5086. 10.1021/acs.jctc.9b00427
Stefan Kurth, David Jacob, Nahual Sobrino, Gianluca Stefanucci; Nonequilibrium spectral functions from multiterminal steady-state density functional theory, PHYSICAL REVIEW B 100, 085114. 10.1103/PhysRevB.100.085114
Lede Xian, Dante Kennes, Nicolas Tancogne-Dejean, Massimo Altarelli, Angel Rubio; Multiflat Bands and Strong Correlations in Twisted Bilayer Boron Nitride: Doping-Induced Correlated Insulator and Superconductor, NANO LETTERS 19, 4934-4940. 10.1021/acs.nanolett.9b00986
Luis Dacal, Andres Cantarero, Valerio Olevano; Substrate strain and doping effects on the crystal structure of SrNbxTi1-xO3, EUROPEAN PHYSICAL JOURNAL B 92, 181. 10.1140/epjb/e2019-100120-4
Stefan Kurth, David Jacob, Nahual Sobrino, Gianluca Stefanucci; Nonequilibrium spectral functions from multiterminal steady-state density functional theory, PHYSICAL REVIEW B 100, 085114. 10.1103/PhysRevB.100.085114
Victor Moron, Marco Marazzi, Marius Wanko; Far Red Fluorescent Proteins: Where Is the Limit of the Acylimine Chromophore?, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15, 4228-4240. 10.1021/acs.jctc.9b00070
Sean Anderson, Bernardo Mendoza, Giorgia Fugallo, Francesco Sottile; Plasmon dispersion in graphite: A comparison of current ab initio methods, PHYSICAL REVIEW B 100, 045205. 10.1103/PhysRevB.100.045205
Claudio Attaccalite, Maurizia Palummo, Elena Cannuccia; Second-harmonic generation in single-layer monochalcogenides: A response from first-principles real-time simulations, PHYSICAL REVIEW MATERIALS 3, 074003. 10.1103/PhysRevMaterials.3.074003
Joaquim Jornet-Somoza, Irina Lebedeva; Real-Time Propagation TDDFT and Density Analysis for Exciton Coupling Calculations in Large Systems, JOURNAL OF CHEMICAL THEORY AND COMPUTATION 15, 3743-3754. 10.1021/acs.jctc.9b00209

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