Publications



2020


Excimer Intermediates en Route to Long-Lived Charge-Transfer States in Single-Stranded Adenine DNA as Revealed by Nonadiabatic Dynamics. / Ibele, Lea M.; Sanchez-Murcia, Pedro A.; Mai, Sebastian (Corresponding author) et al.
In: Journal of Physical Chemistry Letters, Vol. 11, No. 18, 17.09.2020, p. 7483-7488.

Publications: Contribution to journalArticlePeer Reviewed


Aberrant electronic and structural alterations in pressure tuned perovskite NaOsO3. / Sereika, Raimundas (Corresponding author); Liu, Peitao; Kim, Bongjae et al.
In: npj Quantum Materials, Vol. 5, No. 1, 66, 16.09.2020.

Publications: Contribution to journalArticlePeer Reviewed


Raman Scattering Cross Section of Confined Carbyne. / Tschannen, Cla Duri; Gordeev, Georgy; Reich, Stephanie et al.
In: Nano Letters, Vol. 20, No. 9, 09.09.2020, p. 6750-6755.

Publications: Contribution to journalArticlePeer Reviewed


Leather-like material biofabrication using fungi. / Jones, Mitchell; Gandia, Antoni; John, Sabu et al.
In: Nature sustainability, Vol. 4, No. 1, 07.09.2020, p. 9-16.

Publications: Contribution to journalReviewPeer Reviewed


Early Relaxation Dynamics in the Photoswitchable Complextrans-[RuCl(NO)(py)(4)](2+). / Talotta, Francesco; Boggio-Pasqua, Martial; Gonzalez, Leticia (Corresponding author).
In: Chemistry: A European Journal, Vol. 26, No. 50, 04.09.2020, p. 11522-11528.

Publications: Contribution to journalArticlePeer Reviewed


On-the-Fly Active Learning of Interatomic Potentials for Large-Scale Atomistic Simulations. / Jinnouchi, Ryosuke; Miwa, Kazutoshi; Karsai, Ferenc et al.
In: Journal of Physical Chemistry Letters, Vol. 11, No. 17, 03.09.2020, p. 6946-6955.

Publications: Contribution to journalArticlePeer Reviewed


Catalytic Mechanism of Processive GlfT2: Transition Path Sampling Investigation of Substrate Translocation. / Janos, Pavel; Tvaroska, Igor; Dellago, Christoph et al.
In: ACS Omega, Vol. 5, No. 34, 01.09.2020, p. 21374-21384.

Publications: Contribution to journalArticlePeer Reviewed


Atomic-Scale Carving of Nanopores into a van der Waals Heterostructure with Slow Highly Charged Ions. / Schwestka, Janine (Corresponding author); Inani, Heena (Corresponding author); Tripathi, Mukesh et al.
In: ACS Nano, Vol. 14, No. 8, 25.08.2020, p. 10536-10543.

Publications: Contribution to journalArticlePeer Reviewed


Adsorption transition of a grafted ferromagnetic filament controlled by external magnetic fields. / Sanchez, Pedro A. (Corresponding author); Novak, Ekaterina; Pyanzina, Elena S. et al.
In: Physical Review E, Vol. 102, No. 2, 022609, 21.08.2020.

Publications: Contribution to journalArticlePeer Reviewed


Process Pathway Controlled Evolution of Phase and Van-der-Waals Epitaxy in In/In2O3on Graphene Heterostructures. / Elibol, Kenan; Mangler, Clemens; Gupta, Tushar et al.
In: Advanced Functional Materials, Vol. 30, No. 34, 2003300, 19.08.2020.

Publications: Contribution to journalArticlePeer Reviewed


The influence of polydispersity on the structural properties of the isotropic phase of magnetic nanoplatelets. / Rosenberg, Margaret (Corresponding author); Gregorin, Žiga; Hribar Boštjančič, Patricija et al.
In: Journal of Molecular Liquids, Vol. 312, 113293, 15.08.2020.

Publications: Contribution to journalArticlePeer Reviewed


Shear-Induced Stack Orientation and Breakup in Cluster Glasses of Ring Polymers. / Liebetreu, Maximilian (Corresponding author); Likos, Christos N.
In: ACS Applied Polymer Materials, Vol. 2, No. 8, 14.08.2020, p. 3505-3517.

Publications: Contribution to journalArticlePeer Reviewed


CuAu, a hexagonal two-dimensional metal. / Zagler, Georg (Corresponding author); Reticcioli, Michele; Mangler, Clemens et al.
In: 2D Materials, Vol. 7, No. 4, 045017, 10.08.2020.

Publications: Contribution to journalArticlePeer Reviewed


Orbital-free photophysical descriptors to predict directional excitations in metal-based photosensitizers. / Sanchez-Murcia, Pedro A. (Corresponding author); Nogueira, Juan J.; Plasser, Felix et al.
In: Chemical Science, Vol. 11, No. 29, 07.08.2020, p. 7685-7693.

Publications: Contribution to journalArticlePeer Reviewed


Atomistic understanding of damage and beam-driven dynamics in 2D materials. / Chirita, Alexandru; Markevich, Alexander; Kotakoski, Jani et al.
In: Microscopy and Microanalysis, Vol. 26, No. S2, 08.2020, p. 542-543.

Publications: Contribution to journalMeeting abstract/Conference paperPeer Reviewed


2D Noble Gas Crystals Encapsulated in Few-Layer Graphene. / Längle, Manuel; Mizohata, Kenichiro; Åhlgren, E. Harriet et al.
In: Microscopy and Microanalysis, Vol. 26, No. S2, 08.2020, p. 1086-1089.

Publications: Contribution to journalMeeting abstract/Conference paperPeer Reviewed


Selective phase growth and precise-layer control in MoTe2. / Fraser, James P.; Masaityte, Liudvika; Zhang, Jingyi et al.
In: Communications Materials, Vol. 1, No. 1, 48, 24.07.2020.

Publications: Contribution to journalArticlePeer Reviewed


Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals. / Tal, Alexey (Corresponding author); Liu, Peitao; Kresse, Georg et al.
In: Physical Review Research, Vol. 2, No. 3, 032019, 20.07.2020.

Publications: Contribution to journalArticlePeer Reviewed


Bragg Diffraction of Large Organic Molecules. / Brand, Christian; Kialka, Filip; Troyer, Stephan et al.
In: Physical Review Letters, Vol. 125, No. 3, 033604, 16.07.2020.

Publications: Contribution to journalArticlePeer Reviewed


Characterisation of the magnetic response of nanoscale magnetic filaments in applied fields. / Mostarac, Deniz; Sánchez, Pedro A.; Kantorovich, Sofia.
In: Nanoscale, Vol. 12, No. 26, 13933-13947, 14.07.2020, p. 13933-13947.

Publications: Contribution to journalArticlePeer Reviewed