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LOBSTER : Local orbital projections, atomic charges, and chemical‐bonding analysis from projector‐augmented‐wave‐based density‐functional theory2020 Journal of Computational Chemistry article Materials Science Machine Learning in Materials Science Open access
Ryky Nelson, Christina Ertural, Janine George, Volker L. Deringer, Geoffroy Hautier, Richard Dronskowski
1,582citations -
A selenoxide for single-atom protein modification of tyrosine residues enabled by water-resistant chalcogen and hydrogen bonding2025 Nature Chemistry article Biochemistry, Genetics and Molecular Biology Chemical Synthesis and Analysis Open access
Songyun Lin, Marina Hirao, Philipp Hartmann, Markus Leutzsch, Marie Sophie Sterling, Alessandro Vetere, +7 more
13citations -
Atomic‐Scale Study on Core–Shell Cu Precipitation in Steels: Atom Probe Tomography and Ab Initio Calculations2024 steel research international article Engineering Advanced Materials Characterization Techniques Open access
Xiao Huan Shen, Yixu Wang, Zigan Xu, Bowen Zou, Enzo Liotti, Richard Dronskowski, +1 more
3citations -
Atomic-scale study on core-shell Cu precipitation in steels: atom probe tomography and ab initio calculations2024 arXiv (Cornell University) preprint Engineering Advanced Materials Characterization Techniques Open access
Xiao Huan Shen, Yixu Wang, Zigan Xu, Enzo Liotti, Richard Dronskowski, Wenwen Song
0citations -
Bonding Signatures of Incipient Electron Localization in Topological Chiral Semimetals Near the Metal-Insulator Transition2026 arXiv (Cornell University) preprint Physics and Astronomy Topological Materials and Phenomena Open access
Felix Hoff, Jonathan Frank, Mohit Raghuwanshi, Jan Köttgen, Vicky Hasse, Tim Bartsch, +8 more
0citations -
Inside Back Cover: The Orbital Origins of Chemical Bonding in Ge−Sb−Te Phase‐Change Materials (Angew. Chem. Int. Ed. 17/2022)2022 Angewandte Chemie International Edition article Materials Science Phase-change materials and chalcogenides
Jan Hempelmann, Peter C. Müller, Christina Ertural, Richard Dronskowski
0citations -
Crystallization and Vitrification Kinetics by Design: The Role of Chemical Bonding2021 arXiv (Cornell University) preprint Materials Science Phase-change materials and chalcogenides Open access
Christoph Persch, Maximilian J. Müller, Aakash Yadav, Julian Pries, Natalie Honné, Peter Kerres, +6 more
1citations