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Author

Andrea Anelli

Observed names: Andrea, Anelli, Anelli, Andrea
ORCID: 0000-0001-9230-1342
Observed ORCID: 0000-0001-9230-1342
OpenAlex ID: A5017761609
Automatic selection of atomic fingerprints and reference configurations for machine-learning potentials
2018 · Giulio Imbalzano, Andrea Anelli, et al. · The Journal of Chemical Physics · 339
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Learning the electronic density of states in condensed matter
2020 · Chiheb Ben Mahmoud, Andrea Anelli, et al. · Physical review. B./Physical review. B · 147
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The seventh blind test of crystal structure prediction: structure generation methods
2024 · Lily M. Hunnisett, Jonas Nyman, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 100
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The seventh blind test of crystal structure prediction: structure ranking methods
2024 · Lily M. Hunnisett, Nicholas Francia, et al. · Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 85
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Mapping uncharted territory in ice from zeolite networks to ice structures
2018 · Edgar A. Engel, Andrea Anelli, et al. · Nature Communications · 78
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A Bayesian approach to NMR crystal structure determination
2019 · Edgar A. Engel, Andrea Anelli, et al. · Physical Chemistry Chemical Physics · 67
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Generalized convex hull construction for materials discovery
2018 · Andrea Anelli, Edgar A. Engel, et al. · Physical Review Materials · 48
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Exploring the robust extrapolation of high-dimensional machine learning potentials
2022 · Claudio Zeni, Andrea Anelli, et al. · Physical review. B./Physical review. B · 34
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Comparative Analysis of Chemical Descriptors by Machine Learning Reveals Atomistic Insights into Solute–Lipid Interactions
2024 · Justus Johann Lange, Andrea Anelli, et al. · Molecular Pharmaceutics · 24
Geometric deep learning-guided Suzuki reaction conditions assessment for applications in medicinal chemistry
2024 · Kenneth Atz, David F. Nippa, et al. · RSC Medicinal Chemistry · 12
Divide-and-conquer potentials enable scalable and accurate predictions of forces and energies in atomistic systems
2023 · Claudio Zeni, Andrea Anelli, et al. · Digital Discovery · 7
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Robust and efficient reranking in crystal structure prediction: a data driven method for real-life molecules
2024 · Andrea Anelli, Hanno Dietrich, et al. · CrystEngComm · 3
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APPA : Agentic Preformulation Pathway Assistant
2025 · Lange, Julius, Komissarov, Leonid, et al. · arXiv (Cornell University) · 2
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Dynamic language model representations for multi-objective reaction optimisation
2026 · Sin, Joshua W., Segura, David Ming, et al. · arXiv (Cornell University)
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Machine Learning-Driven Prediction of Dose-Linear Pharmacokinetics: Utilizing Molecular Descriptors to Guide Formulation Strategy
2026 · Elizabeth S. Levy, Karen E. Samy, et al. · ACS Omega
The seventh blind test of crystal structure prediction: structure ranking methods
2024 · Lily M. Hunnisett, Nicholas Francia, et al. · Newcastle University ePrints (Newcastle Univesity)
The seventh blind test of crystal structure prediction: structure generation methods
2024 · Lily M. Hunnisett, Jonas Nyman, et al. · Newcastle University ePrints (Newcastle Univesity)
Automatic solid form classification in pharmaceutical drug development
2024 · Lange, Julius, Komissarov, Leonid, et al. · arXiv (Cornell University)
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Characterising Structure and Stability of Materials using Machine Learning
2020 · Anelli, Andrea · Infoscience (Ecole Polytechnique Fédérale de Lausanne)
A Generalized Convex Hull Construction for Computational Materials Discovery
2018 · Edgar A. Engel, Andrea Anelli, et al. · Bulletin of the American Physical Society
From tetrahedral networks to (meta-) stable ice structures: a theoretical study
2017 · Edgar A. Engel, Chris J. Pickard, et al. · Bulletin of the American Physical Society
Works count: 33
Citation count: 947
H-index: 10
I10-index: 10
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