From

Institution

Field

Type

Open access only Cited by patents (Lens) Include non-Aachen papers (citing/cited)

Reset

Papers matching “density functional accuracy” 10

Sort: Relevance Cited Newest Oldest Fwci Patents ⇩ CSV

Not finding it? Sign in to also search OpenAlex live.

Enhancing Predictive Accuracy Under Data Scarcity: Modeling Molecular Interactions to Describe Sealing Material Compatibility with Bio-Hybrid Fuels
2025 Physchem article Materials Science Machine Learning in Materials Science Open access

Lukas Boden, Faras Brumand‐Poor, Linda Pleninger, Katharina Schmitz

0

citations
Phonon Spectroscopy in Antimony and Tellurium Oxides
2020 The Journal of Physical Chemistry A article Materials Science Solid-state spectroscopy and crystallography Open access

Atefeh Jafari, Benedikt Klobes, I. Sergueev, Duncan H. Moseley, Michael E. Manley, Richard Dronskowski, +11 more

10

citations
Density-based phase-field modeling of grain boundary segregation and structural transitions
2025 RWTH Publications (RWTH Aachen) dissertation Materials Science Solidification and crystal growth phenomena Open access

Theophilus Wallis

0

citations
Graphene at Liquid Copper Catalysts: Atomic‐Scale Agreement of Experimental and First‐Principles Adsorption Height
2022 Advanced Science article Materials Science Graphene research and applications Open access

Hao Gao, Valentina Belova, Francesco La Porta, Juan Santiago Cingolani, Mie Andersen, Mehdi Saedi, +6 more

23

citations
Graphene at Liquid Copper Catalysts: Atomic-Scale Agreement of Experimental and First-Principles Adsorption Height
2022 ChemRxiv preprint Materials Science Graphene research and applications Open access

Hao Gao, Valentina Belova, Francesco La Porta, Santiago Cingolani, Mie Andersen, Mehdi Saedi, +6 more

3

citations
Phase‐Change and Ovonic Materials (Third Edition)
2022 physica status solidi (RRL) - Rapid Research Letters article Materials Science Phase-change materials and chalcogenides Open access

Pierre Noé, Bart Jan Kooi, Matthias Wuttig

0

citations
Integration and reliable operation of liquid-gated two-dimensional field-effect transistors based on molybdenum disulfide for biohybrid computation
2025 RWTH Publications (RWTH Aachen) dissertation Materials Science 2D Materials and Applications Open access

Animesh Pratap Singh

0

citations
Practical feature filter strategy to machine learning for small datasets in chemistry
2024 Scientific Reports article Materials Science Machine Learning in Materials Science Open access

Yang Hu, Roland Sandt, Robert Spatschek

20

citations
Chemo-mechanical benchmark for phase-field approaches
2024 Modelling and Simulation in Materials Science and Engineering article Materials Science Solidification and crystal growth phenomena Open access

Thea Kannenberg, Andreas Prahs, Bob Svendsen, Britta Nestler, Daniel Schneider

8

citations
Simulation of Raman-Spectra of water using machine learning potentials
2025 Chemical Physics article Materials Science Machine Learning in Materials Science Open access

Jan Eckwert, Wassja A. Kopp, Kai O. Leonhard

1

citations

10 results