Publications 2024


Showing entries 41 - 60 out of 85

Adsorption characteristics of Janus tadpole polymers. / Vitecek, Benedikt; Likos, Christos N.; Gârlea, Ioana C. (Corresponding author).

In: Journal of Chemical Physics, Vol. 160, No. 22, 224902 , 14.06.2024.

Publications: Contribution to journalArticlePeer Reviewed


Resolving Photoinduced Femtosecond Three-Dimensional Solute-Solvent Dynamics through Surface Hopping Simulations. / Polonius, Severin; Lehrner, David; González, Leticia et al.

In: Journal of Chemical Theory and Computation, Vol. 20, No. 11, 11.06.2024, p. 4738-4750.

Publications: Contribution to journalArticlePeer Reviewed


Structure and dynamics in suspensions of magnetic platelets. / Rosenberg, Margaret (Corresponding author); Kantorovich, Sofia S.; Ivanov, Alexey O. et al.

In: Nanoscale, Vol. 16, No. 21, 07.06.2024, p. 10250-10261.

Publications: Contribution to journalArticlePeer Reviewed


Ultrastrong Coupling between Polar Distortion and Optical Properties in Ferroelectric MoBr2O2. / Li, Zhaojun; Varrassi, Lorenzo; Yang, Yali (Corresponding author) et al.

In: Journal of the American Chemical Society, Vol. 146, No. 22, 05.06.2024, p. 15411–15419.

Publications: Contribution to journalArticlePeer Reviewed


Core-shell nanogels: the effects of morphology, electro- and magnetostatic interactions. / Dobroserdova, Alla B. (Corresponding author); Minina, Elena S.; Sánchez, Pedro A. et al.

In: Soft Matter, Vol. 20, No. 39, 03.06.2024, p. 7797-7810.

Publications: Contribution to journalArticlePeer Reviewed


Variable capacity polymer based energy harvesters with integrated macroporous elastomer springs. / Jiang, Qixiang; Otáhalová, Veronika; Burré, Victor et al.

In: Nano Energy, Vol. 124, 109460, 01.06.2024.

Publications: Contribution to journalArticlePeer Reviewed


Two-dimensional few-atom noble gas clusters in a graphene sandwich. / Längle, Manuel (Corresponding author); Mizohata, Kenichiro; Mangler, Clemens et al.

In: Nature Materials, Vol. 23, No. 6, 06.2024, p. 762–767.

Publications: Contribution to journalArticlePeer Reviewed


Toward Large-Scale AFQMC Calculations: Large Time Step Auxiliary-Field Quantum Monte Carlo. / Sukurma, Zoran (Corresponding author); Schlipf, Martin (Corresponding author); Humer, Moritz (Corresponding author) et al.

In: Journal of Chemical Theory and Computation, Vol. 20, No. 10, 28.05.2024, p. 4205–4217.

Publications: Contribution to journalArticlePeer Reviewed


Engineering Ultrasoft Interactions in Stiff All-DNA Dendrimers by Site-Specific Control of Scaffold Flexibility. / Adžić, Nataša (Corresponding author); Jochum, Clemens (Corresponding author); Likos, Christos N. (Corresponding author) et al.

In: Small, Vol. 20, No. 21, 2308763, 23.05.2024.

Publications: Contribution to journalArticlePeer Reviewed


Machine learning-aided first-principles calculations of redox potentials. / Jinnouchi, Ryosuke (Corresponding author); Karsai, Ferenc; Kresse, Georg.

In: npj Computational Materials, Vol. 10, No. 1, 107, 20.05.2024.

Publications: Contribution to journalArticlePeer Reviewed


Orbital-overlap-driven hybridization in 3d-transition metal perovskite oxides LaMO3 (M = Ti-Ni) and La2CuO4. / Liu, Chun Yu (Corresponding author); Celiberti, Lorenzo; Decker, Régis et al.

In: Communications Physics, Vol. 7, No. 1, 156, 14.05.2024.

Publications: Contribution to journalArticlePeer Reviewed


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 journalArticlePeer 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 journalArticlePeer 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 bookContribution to proceedingsPeer 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 journalArticlePeer 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 journalArticlePeer 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 journalArticlePeer Reviewed


Showing entries 41 - 60 out of 85