Christina Ertural

Federal Institute For Materials Research and Testing — Germany

Chemistry · Physical Sciences

12h-index2.2kcitations65works3.82yr avg
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Research Topics

Various Chemistry Research Topics(22), Machine Learning in Materials Science(19), X-ray Diffraction in Crystallography(12), Crystallography and molecular interactions(10), Inorganic Chemistry and Materials(10)

Publications65 total

A critical assessment of bonding descriptors for predicting materials properties
arXiv (Cornell University)·2026Open Access
A critical assessment of bonding descriptors for predicting materials properties
arXiv (Cornell University)·2026Open Access
Can simple exchange heuristics guide us in predicting magnetic properties of solids?
2026Open Access
Author response for "A Python workflow definition for computational materials design"
2025
An automated framework for exploring and learning potential-energy surfaces
Nature Communications·2025· 11 citedOpen Access
Can simple exchange heuristics guide us in predicting magnetic properties of solids?
2025Open Access
A Python workflow definition for computational materials design
arXiv (Cornell University)·2025Open Access
Atomate2: Modular workflows for materials science
2025· 8 citedOpen Access
A python workflow definition for computational materials design
Digital Discovery·2025Open Access
Atomate2: modular workflows for materials science
Digital Discovery·2025· 19 citedOpen Access
Correction: Atomate2: modular workflows for materials science
Digital Discovery·2025Open Access
An automated framework for exploring and learning potential-energy surfaces
arXiv (Cornell University)·2024Open Access
LobsterPy: A package to automatically analyze LOBSTERruns
The Journal of Open Source Software·2024· 12 citedOpen Access
A Quantum-Chemical Bonding Database for Solid-State Materials
Scientific Data·2023· 23 citedOpen Access
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1)
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 2)
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
A Quantum-Chemical Bonding Database for Solid-State Materials (JSONS: Part 1)
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Quantum-Chemical Bonding Database (Unprocessed data : Part 4)
Zenodo (CERN European Organization for Nuclear Research)·2023· 1 citedOpen Access
Quantum-Chemical Bonding Database (Unprocessed data : Part 1)
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
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Frequent Co-authors

Janine George(31), Aakash Ashok Naik(26), Richard Dronskowski(23), Nidal Dhamrait(20), Philipp Benner(20), Peter C. Müller(10), Ryky Nelson(8), Volker L. Deringer(7), Geoffroy Hautier(7), Jan Hempelmann(5), Ralf P. Stoffel(4), Christian Vogt(4), Alex J. Corkett(3), Adam Slabon(3), Katharina Ueltzen(3), Alex M. Ganose(2), Hrushikesh Sahasrabuddhe(2), Mark Asta(2), Kévin Beck(2), Tathagata Biswas(2)