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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 - 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)

8 - 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)

9 - 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)

10 - 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)

11 - 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)

12 - 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)

Thesis

13 - Ab initio investigation of structural and electronic properties on 1D and 2D nanomaterials
Wenwen Cui
PhD thesis, Université Claude Bernard - Lyon 1 (2017)

14 - Ab initio prediction of crystalline phases and their electronic properties : from ambient to extreme pressures
Jingming Shi
PhD thesis, Université Claude Bernard - Lyon 1 (2017)

Report

15 - 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)