Publications

Showing entries 61 - 80 out of 1268

2024

Supercoiled ring polymers under shear flow. / Schneck, Christoph; Smrek, Jan; Likos, Christos N. (Corresponding author) et al.
In: Nanoscale, Vol. 16, No. 18, 14.05.2024, p. 8880-8899.

Publications: Contribution to journal › Article › Peer Reviewed

Functionally Gradient Macroporous Polymers: Emulsion Templating Offers Control over Density, Pore Morphology, and Composition. / Xu, Yufeng; Tang, Le; Nok-Iangthong, Chanokporn et al.
In: ACS Applied Polymer Materials, Vol. 6, No. 9, 10.05.2024, p. 5150-5162.

Publications: Contribution to journal › Article › Peer Reviewed

Solving Millions of Eigenvectors in Large-Scale Quantum-Many-Body-Theory Computations. / Tal, Alexey; Marsman, Martijn; Kresse, Georg et al.
ISC High Performance 2024 Research Paper Proceedings (39th International Conference): Hamburg, Germany, May 12 - 16, 2024. Hamburg: Prometeus GmbH, 2024.

Publications: Contribution to book › Contribution to proceedings › Peer Reviewed

Perspective: Atomistic simulations of water and aqueous systems with machine learning potentials. / Omranpour, Amir; Montero De Hijes, Pablo; Behler, Jörg (Corresponding author) et al.
In: Journal of Chemical Physics, Vol. 160, No. 17, 170901, 07.05.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Machine learning-based prediction of polaron-vacancy patterns on the TiO2(110) surface. / Birschitzky, Viktor C. (Corresponding author); Sokolović, Igor; Prezzi, Michael et al.
In: npj Computational Materials, Vol. 10, No. 1, 89, 06.05.2024.

Publications: Contribution to journal › Article › Peer Reviewed

PyrAtes: Modular Organic Salts with Large Stokes Shifts for Fluo-rescence Microscopy. / Saridakis, Iakovos; Riomet, Margaux; Belleza, Oliver J.V. et al.
In: Angewandte Chemie - International Edition, Vol. 63, No. 19, e202318127, 06.05.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Requirements for probing chiral Casimir-Polder forces in a molecular Talbot-Lau interferometer. / Suzuki, Fumika (Corresponding author); Shah, S. A.; Dalvit, Diego A.R. et al.
In: Physical Review Research, Vol. 6, No. 2, 023145, 05.2024.

Publications: Contribution to journal › Article › Peer Reviewed

Resonance energy transfer in orthogonally arranged chromophores: a question of molecular representation. / Jacobi, Richard; González, Leticia (Corresponding author).
In: Physical Chemistry Chemical Physics, Vol. 26, No. 16, 28.04.2024, p. 12299-12305.

Publications: Contribution to journal › Article › Peer Reviewed

Tribute to Roland Lindh. / González, Leticia (Corresponding author); Reiher, Markus; Rice, Julia.
In: The journal of physical chemistry. A, Vol. 128, No. 16, 25.04.2024, p. 3047-3048.

Publications: Contribution to journal › Editorial › Peer Reviewed

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

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

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

Showing entries 61 - 80 out of 1268