Publications

Showing entries 81 - 100 out of 1283

2024

CO-Induced Dimer Decay Responsible for Gem-Dicarbonyl Formation on a Model Single-Atom Catalyst. / Wang, Chunlei; Sombut, Panukorn; Puntscher, Lena et al.
In: Angewandte Chemie - International Edition, Vol. 63, No. 16, e202317347, 15.04.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Fungal Carbon: A Cost-Effective Tunable Network Template for Creating Supercapacitors. / Jones, Mitchell P. (Corresponding author); Jiang, Qixiang; Mautner, Andreas et al.
In: Global Challenges, Vol. 8, No. 4, 2300315, 11.04.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Layer-by-layer phase transformation in Ti3O5 revealed by machine-learning molecular dynamics simulations. / Liu, Mingfeng; Wang, Jiantao; Hu, Junwei et al.
In: Nature Communications, Vol. 15, 3079, 09.04.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Effects of Linking Topology on the Shear Response of Connected Ring Polymers: Catenanes and Bonded Rings Flow Differently. / Farimani, Reyhaneh A.; Ahmadian Dehaghani, Zahra; Likos, Christos N. et al.
In: Physical Review Letters, Vol. 132, No. 14, 148101, 05.04.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Bifurcation of Excited-State Population Leads to Anti-Kasha Luminescence in a Disulfide-Decorated Organometallic Rhenium Photosensitizer. / Franz, Julia; Oelschlegel, Manuel; Zobel, J. Patrick et al.
In: Journal of the American Chemical Society, Vol. 146, No. 16, 04.2024, p. 11272–11288.

Publications: Contribution to journal › Article › Peer Reviewed

Drug design on quantum computers. / Santagati, Raffaele (Corresponding author); Aspuru-Guzik, Alan; Babbush, Ryan et al.
In: Nature Physics, Vol. 20, No. 4, 04.2024, p. 549-557.

Publications: Contribution to journal › Article › Peer Reviewed

Enhanced Sampling of Configuration and Path Space in a Generalized Ensemble by Shooting Point Exchange. / Falkner, Sebastian; Coretti, Alessandro; Dellago, Christoph (Corresponding author).
In: Physical Review Letters, Vol. 132, No. 12, 128001, 22.03.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Comparing machine learning potentials for water: Kernel-based regression and Behler-Parrinello neural networks. / Montero de Hijes, Pablo (Corresponding author); Dellago, Christoph; Jinnouchi, Ryosuke et al.
In: Journal of Chemical Physics, Vol. 160, No. 11, 114107, 21.03.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Spin-orbital Jahn-Teller bipolarons. / Celiberti, Lorenzo; Fiore Mosca, Dario ; Allodi, Giuseppe et al.
In: Nature Communications, Vol. 15, 2429, 18.03.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Mycomining: perspective on fungi as scavengers of scattered metal, mineral, and rare earth element resources. / Jones, Mitchell P. (Corresponding author); Bismarck, Alexander (Corresponding author).
In: RSC Sustainability, Vol. 2, No. 5, 15.03.2024, p. 1350-1357.

Publications: Contribution to journal › Review › Peer Reviewed

Quantitative description of polymer drag reduction: Effect of polyacrylamide molecular weight distributions. / Brandfellner, Lukas; Muratspahic, Emina; Bismarck, Alexander et al.
In: Journal of Non-Newtonian Fluid Mechanics, Vol. 325, 105185, 03.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Interplay between protonation and Jahn-Teller effects in a manganese vanadium cubane water oxidation catalyst. / Tippner, Simon; Lechner, Patrick; González, Leticia et al.
In: Journal of Chemical Physics, Vol. 160, No. 8, 084306, 28.02.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Transparent PDMS Surfaces with Covalently Attached Lubricants for Enhanced Anti-adhesion Performance. / Eder, Tanja; Mautner, Andreas; Xu, Yufeng et al.
In: ACS Applied Materials and Interfaces, Vol. 16, No. 8, 28.02.2024, p. 10942-10952.

Publications: Contribution to journal › Article › Peer Reviewed

Interpenetrated and Bridged Nanocylinders from Self-Assembled Star Block Copolymers. / Moghimi, Esmaeel; Chubak, Iurii; Ntetsikas, Konstantinos et al.
In: Macromolecules, Vol. 57, No. 3, 13.02.2024, p. 926-939.

Publications: Contribution to journal › Article › Peer Reviewed

Unraveling the govering properties of confined carbyne through the interaction with its carbon nanotube host. / Cui, Weili; Ayala, Paola; Pichler, Thomas (Corresponding author) et al.
In: Carbon, Vol. 219, 118784, 10.02.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Quasiparticle and excitonic properties of monolayer SrTiO3. / Varrassi, Lorenzo (Corresponding author); Liu, Peitao; Franchini, Cesare.
In: Physical Review Materials, Vol. 8, No. 2, 024001, 02.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Retain strength, gain ductility: tough and transparent nanopapers by mercerisation. / Mayer, Florian; Prado-Roller, Alexander; Mautner, Andreas (Corresponding author) et al.
In: Cellulose, Vol. 31, No. 3, 02.2024, p. 1533-1544.

Publications: Contribution to journal › Article › Peer Reviewed

Carbon nano-onions: Individualization and enhanced water dispersibility. / Lucherelli, Matteo Andrea (Corresponding author); Stiegler, Lisa M.S.; Steiger, Florian et al.
In: Carbon, Vol. 218, 118760, 31.01.2024.

Publications: Contribution to journal › Article › Peer Reviewed

The Mott transition in the 5d1 compound Ba2NaOsO6: a DFT+DMFT study with PAW spinor projectors. / Fiore Mosca, Dario (Corresponding author); Schnait, Hermann; Celiberti, Lorenzo et al.
In: Computational Materials Science, Vol. 233, 112764, 30.01.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Controlling the coarsening dynamics of ferrogranulate networks by means of the filling fraction—Less is more susceptible. / Lakkis, Ali (Corresponding author); Biersack, Matthias; Bilous, Oksana et al.
In: Journal of Magnetism and Magnetic Materials, Vol. 589, 171620, 01.01.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Showing entries 81 - 100 out of 1283