Publications 2024
Reply to the ‘Comment on “Effects of topological constraints on linked ring polymers in solvents of varying quality”’ by M. Tsige and H. Guo, Soft Matter, 2024, 20, DOI: 10.1039/D3SM01614E. / Dehaghani, Zahra Ahmadian; Chubak, Iurii; Likos, Christos N. (Corresponding author) et al.
In: Soft Matter, Vol. 20, No. 23, 21.06.2024, p. 4651-4652.Publications: Contribution to journal › Article › Peer Reviewed
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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer Reviewed
Flexing with lignin: Lignin-based elastomers synthesised from untreated kraft black liquor. / Verdross, Philip; Woodward, Robert (Corresponding author); Bismarck, Alexander (Corresponding author).
In: Polymer chemistry, Vol. 15, No. 26, 03.06.2024, p. 2687-2697.Publications: Contribution to journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer Reviewed
Stereodivergent Synthesis of 1,4-Dicarbonyl Compounds through Sulfonium Rearrangement: Mechanistic Investigation, Stereocontrolled Access to γ-Lactones and γ-Lactams, and Total Synthesis of Paraconic Acids. / Gillaizeau-Simonian, Nicolas; Spieß, Philipp; Riomet, Margaux et al.
In: Journal of the American Chemical Society, Vol. 146, No. 20, 22.05.2024, p. 13914-13923.Publications: Contribution to journal › Article › Peer 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 journal › Article › Peer 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 journal › Article › Peer 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 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