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First Principles Neural Network Potentials for Reactive Simulations of Large Molecular and Condensed Systems.
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- Angewandte Chemie International Edition, 2017, v. 56, n. 42, p. 12828, doi. 10.1002/anie.201703114
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Machine learning potentials for extended systems: a perspective.
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- European Physical Journal B: Condensed Matter, 2021, v. 94, n. 7, p. 1, doi. 10.1140/epjb/s10051-021-00156-1
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Nucleation mechanism for the direct graphite-to-diamond phase transition.
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- Nature Materials, 2011, v. 10, n. 9, p. 693, doi. 10.1038/nmat3078
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High-dimensional neural network potentials for magnetic systems using spin-dependent atom-centered symmetry functions.
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- NPJ Computational Materials, 2021, v. 7, n. 1, p. 1, doi. 10.1038/s41524-021-00636-z
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A fourth-generation high-dimensional neural network potential with accurate electrostatics including non-local charge transfer.
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- Nature Communications, 2021, v. 12, n. 1, p. 1, doi. 10.1038/s41467-020-20427-2
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Cover Feature: New Insights into the Catalytic Activity of Cobalt Orthophosphate Co<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub> from Charge Density Analysis (Chem. Eur. J. 69/2019).
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- Chemistry - A European Journal, 2019, v. 25, n. 69, p. 15704, doi. 10.1002/chem.201904453
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New Insights into the Catalytic Activity of Cobalt Orthophosphate Co<sub>3</sub>(PO<sub>4</sub>)<sub>2</sub> from Charge Density Analysis.
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- Chemistry - A European Journal, 2019, v. 25, n. 69, p. 15786, doi. 10.1002/chem.201902303
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Symposium für theoretische Chemie 2016: Chemie in Lösung.
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- Nachrichten aus der Chemie, 2017, v. 65, n. 1, p. 78, doi. 10.1002/nadc.20174058698
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Machine-Learning-Potenziale.
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- Nachrichten aus der Chemie, 2016, v. 64, n. 3, p. 323, doi. 10.1002/nadc.20164047447
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Constructing high-dimensional neural network potentials: A tutorial review.
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- International Journal of Quantum Chemistry, 2015, v. 115, n. 16, p. 1032, doi. 10.1002/qua.24890
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Hochdimensionale neuronale Netze für Potentialhyperflächen großer molekularer und kondensierter Systeme.
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- Angewandte Chemie, 2017, v. 129, n. 42, p. 13006, doi. 10.1002/ange.201703114
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- Article
A Full-Dimensional Neural Network Potential-Energy Surface for Water Clusters up to the Hexamer.
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- Zeitschrift für Physikalische Chemie, 2013, v. 227, n. 11, p. 1559, doi. 10.1524/zpch.2013.0384
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- Article
Neural network potentials for metals and oxides - First applications to copper clusters at zinc oxide.
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- Physica Status Solidi (B), 2013, v. 250, n. 6, p. 1191, doi. 10.1002/pssb.201248370
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Front Cover: Neural network potentials for metals and oxides - First applications to copper clusters at zinc oxide (Phys. Status Solidi B 6/2013).
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- Physica Status Solidi (B), 2013, v. 250, n. 6, p. n/a, doi. 10.1002/pssb.201370539
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- Article
Pressure-induced phase transitions in silicon studied by neural network-based metadynamics simulations.
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- Physica Status Solidi (B), 2008, v. 245, n. 12, p. 2618, doi. 10.1002/pssb.200844219
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- Article
Molecular Composition of Liquid Sulfur.
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- Angewandte Chemie International Edition, 2002, v. 41, n. 17, p. 3199, doi. 10.1002/1521-3773(20020902)41:17<3199::AID-ANIE3199>3.0.CO;2-9
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