Publications

Making free-energy calculations routine: Combining first principles with machine learning. / Jinnouchi, Ryosuke (Corresponding author); Karsai, Ferenc; Kresse, Georg.
In: Physical Review B, Vol. 101, No. 6, 060201, 18.02.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Identification of Protein Functional Regions. / Nerattini, Francesca; Figliuzzi, Matteo; Cardelli, Chiara et al.
In: ChemPhysChem, Vol. 21, No. 4, 17.02.2020, p. 335-347.

Publications: Contribution to journal › Article › Peer Reviewed

Protein design under competing conditions for the availability of amino acids. / Nerattini, Francesca; Tubiana, Luca; Cardelli, Chiara et al.
In: Scientific Reports, Vol. 10, No. 1, 2684, 14.02.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Probing structural changes upon carbon monoxide coordination to single metal adatoms. / Ryan, P. T.P.; Meier, M.; Jakub, Z. et al.
In: Journal of Chemical Physics, Vol. 152, No. 5, 051102, 07.02.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Enhancing transport by shaping barriers. / Innerbichler, Max; Dellago, Christoph (Corresponding author).
In: Proceedings of the National Academy of Sciences of the United States of America (PNAS), Vol. 117, No. 5, 04.02.2020, p. 2238-2240.

Publications: Contribution to journal › Short communication › Peer Reviewed

Hydrodynamic inflation of ring polymers under shear. / Liebetreu, Maximilian (Corresponding author); Likos, Christos N. (Corresponding author).
In: Communications Materials, Vol. 1, No. 1, 4, 04.02.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Ageing bone fractures: The case of a ductile to brittle transition that shifts with age. / Zioupos, Peter (Corresponding author); Kirchner, Helmut O. K.; Peterlik, Herwig.
In: Bone, Vol. 131, 115176, 02.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Engineered mycelium composite construction materials from fungal biorefineries: A critical review. / Jones, Mitchell; Mautner, Andreas; Luenco, Stefano et al.
In: Materials & Design, Vol. 187, 108397, 02.2020.

Publications: Contribution to journal › Review › Peer Reviewed

Quantum-Assisted Measurement of Atomic Diamagnetism. / Fein, Yaakov Y.; Shayeghi, Armin; Mairhofer, Lukas et al.
In: Physical Review X, Vol. 10, No. 1, 011014 , 22.01.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Approaching the Shockley-Queisser limit for fill factors in lead-tin mixed perovskite photovoltaics. / Jayawardena, K. D.G.I.; Bandara, R. M.I.; Monti, M. et al.
In: Journal of Materials Chemistry A, Vol. 8, No. 2, 14.01.2020, p. 693-705.

Publications: Contribution to journal › Article › Peer Reviewed

Emulsion templated resilient macroporous elastomers. / Jiang, Qixiang (Corresponding author); Morand, Adama; Menner, Angelika et al.
In: Polymer, Vol. 186, 122023, 09.01.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Active topological glass. / Smrek, Jan (Corresponding author); Chubak, Iurii; Likos, Christos N. et al.
In: Nature Communications, Vol. 11, No. 1, 26, 07.01.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Assessing model-dielectric-dependent hybrid functionals on the antiferromagnetic transition-metal monoxides MnO, FeO, CoO, and NiO. / Liu, Peitao (Corresponding author); Franchini, Cesare; Marsman, Martijn et al.
In: Journal of Physics: Condensed Matter, Vol. 32, No. 1, 015502, 01.01.2020, p. 015502.

Publications: Contribution to journal › Article › Peer Reviewed

Small Polarons in Transition Metal Oxides. / Reticcioli, Michele; Diebold, Ulrike; Kresse, Georg et al.
Handbook of Materials Modeling: Applications: Current and Emerging Materials, Second Edition. Springer International Publishing AG , 2020. p. 1035-1073.

Publications: Contribution to book › Chapter › Peer Reviewed

Crab vs. Mushroom: A Review of Crustacean and Fungal Chitin in Wound Treatment. / Jones, Mitchell; Kujundzic, Marina; John, Sabu et al.
In: Marine Drugs, Vol. 18, No. 1, 64, 01.2020.

Publications: Contribution to journal › Review › Peer Reviewed

Diameter and metal-dependent growth properties of inner tubes inside metallocene-filled single-walled carbon nanotubes. / Kharlamova, Marianna (Corresponding author); Kramberger, Christian; Saito, Takeshi et al.
In: Fullerenes, Nanotubes, and Carbon Nanostructures, Vol. 28, No. 1, 01.2020, p. 20-26.

Publications: Contribution to journal › Article › Peer Reviewed

High-Velocity Stretching of Polyolefin Tapes. / Eichelter, Johanna; Wilhelm, Harald; Mautner, Andreas (Corresponding author) et al.
In: Polymer Testing, Vol. 81, 106228, 01.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Mushroom-derived chitosan-glucan nanopaper filters for the treatment of water. / Janesch, Jan; Jones, Mitchell; Bacher, Markus et al.
In: Reactive & Functional Polymers, Vol. 146, 104428, 01.2020.

Publications: Contribution to journal › Article › Peer Reviewed

Nanomaterials Derived from Fungal Sources-Is It the New Hype? / Nawawi, Wan M. F. B. W.; Jones, Mitchell; Murphy, Richard J. et al.
In: Biomacromolecules, Vol. 21, No. 1, 01.2020, p. 30-55.

Publications: Contribution to journal › Article › Peer Reviewed

The Reactivity and Stability of Polyoxometalate Water Oxidation Electrocatalysts. / Gao, Dandan; Trentin, Ivan; Schwiedrzik, Ludwig et al.
In: Molecules, Vol. 25, No. 1, 157, 01.2020.

Publications: Contribution to journal › Review › Peer Reviewed