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2017 [LaTeX]

Books

Chapters of Books

1 - Recent progress on fermionic exchange symmetry
C.L. Benavides-Riveros
in "Chemical Modelling Volume 14", edited by Michael Springborg and Jan-Ole Joswig (Royal Chemical Society, UK) (2017)

Papers

International Journals

2 - Optimization of the ionization time of an atom with tailored laser pulses: a theoretical study
D. Kammerlander, A. Castro, and M.A.L. Marques
Eur. Phys. J. B 90, 91 (2017)

3 - Emergence of superconductivity in doped H2O ice at high pressure
J.A. Flores-Livas, A. Sanna, M. Grauzinyte, A. Davydov, S. Goedecker, and M.A.L. Marques
Sci. Rep. 7, 6825 (2017)

4 - Reconstructing quantum states from single-party information
C. Schilling, C.L. Benavides-Riveros, and P. Vrana
Phys. Rev. A 96, 052312 (2017)

5 - Structural prediction of two-dimensional materials under strain
P. Borlido, C. Steigemann, N.N. Lathiotakis, M.A.L. Marques, and S. Botti
2D Mater. 4, 045009 (2017)

6 - Towards a formal definition of static and dynamic electronic correlations
C.L. Benavides-Riveros, N.N. Lathiotakis, and M.A.L. Marques
Phys. Chem. Chem. Phys. 19, 12655-12664 (2017)

7 - From mesoscale to nanoscale mechanics in single-wall carbon nanotubes
A.C. Torres-Dias, T.F.T. Cerqueira, W. Cui, M.A.L. Marques, S. Botti, D. Machon, M.A. Hartmann, Y. Sun, D.J. Dunstan, and A. San-Miguel
Carbon 123, 145-150 (2017)

8 - Pressure-induced radial collapse in few-wall carbon nanotubes: A combined theoretical and experimental study
R.S. Alencar, W. Cui, A.C. Torres-Dias, T.F.T. Cerqueira, S. Botti, M.A.L. Marques, O.P. Ferreira, Ch. Laurent, A. Weibel, D. Machon, D.J. Dunstan, A.G. Souza Filho, and A. San-Miguel
Carbon 125, 429-436 (2017)

9 - Predicting the thermodynamic stability of solids combining density functional theory and machine learning
J. Schmidt, J. Shi, P. Borlido, L. Chen, S. Botti, and M.A.L. Marques
Chem. Mater. 29, 5090-5103 (2017)

10 - Relating correlation measures: the importance of the energy gap
C.L. Benavides-Riveros, N.N. Lathiotakis, C. Schilling, and M.A.L. Marques
Phys. Rev. A 95, 032507 (2017)

11 - High-throughput search of ternary chalcogenides for p-type transparent electrodes
J. Shi, T.F.T. Cerqueira, W. Cui, F. Nogueira, S. Botti, and M.A.L. Marques
Sci. Rep. 7, 43179 (2017)

12 - Anisotropic layered Bi2Te3-In2Te3 composites: control of interface density for tuning of thermoelectric properties
D. Liu, X. Li, P.M. de Castro Borlido, S. Botti, R. Schmechel, and M. Rettenmayr
Sci. Rep. 7, 43611 (2017)

Thesis

Report

13 - Scientific report of the international workshop on ‘New challenges in Reduced Density Matrix Functional Theory: Symmetries, time-evolution and entanglement’
C.L. Benavides-Riveros, E.K.U. Gross, M.A.L. Marques, and C. Schilling
Psi-k Network October (2017)