Atomic cluster expansion for accurate and transferable interatomic potentials von Drautz, Ralf

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Atomic cluster expansion of scalar, vectorial, and tensorial properties including magnetism and charge transfer von Drautz, Ralf

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On the effect of alloy composition on martensite start temperatures and latent heats in Ni–Ti-based shape memory alloys von Frenzel, J., Wieczorek, A., Opahle, I., Maaß, B., Drautz, R., Eggeler, G.

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Airborne SARS‐CoV‐2 surveillance in hospital environment using high‐flowrate air samplers and its comparison to surface sampling von Ang, Alicia XY, Luhung, Irvan, Ahidjo, Bintou A., Drautz‐Moses, Daniela I., Tambyah, Paul A., Mok, Chee Keng, Lau, Kenny JX, Tham, Sai Meng, Chu, Justin Jang Hann, Allen, David M., Schuster, Stephan C.

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Systematic evaluation of library preparation methods and sequencing platforms for high-throughput whole genome bisulfite sequencing von Zhou, Li, Ng, Hong Kiat, Drautz-Moses, Daniela I., Schuster, Stephan C., Beck, Stephan, Kim, Changhoon, Chambers, John Campbell, Loh, Marie

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Metagenomic profile of the bacterial communities associated with Ixodes ricinus ticks von Carpi, Giovanna, Cagnacci, Francesca, Wittekindt, Nicola E, Zhao, Fangqing, Qi, Ji, Tomsho, Lynn P, Drautz, Daniela I, Rizzoli, Annapaola, Schuster, Stephan C

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Atomic cluster expansion: Completeness, efficiency and stability von Dusson, Geneviève, Bachmayr, Markus, Csányi, Gábor, Drautz, Ralf, Etter, Simon, van der Oord, Cas, Ortner, Christoph

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TCP phase predictions in Ni-based superalloys: Structure maps revisited von Seiser, B., Drautz, R., Pettifor, D.G.

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Elephantid Genomes Reveal the Molecular Bases of Woolly Mammoth Adaptations to the Arctic von Lynch, Vincent J., Bedoya-Reina, Oscar C., Ratan, Aakrosh, Sulak, Michael, Drautz-Moses, Daniela I., Perry, George H., Miller, Webb, Schuster, Stephan C.

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Metagenomics Reveals a Core Macrolide Resistome Related to Microbiota in Chronic Respiratory Disease von Mac Aogáin, Micheál, Lau, Kenny J X, Cai, Zhao, Kumar Narayana, Jayanth, Purbojati, Rikky W, Drautz-Moses, Daniela I, Gaultier, Nicolas E, Jaggi, Tavleen K, Tiew, Pei Yee, Ong, Thun How, Siyue Koh, Mariko, Lim Yick Hou, Albert, Abisheganaden, John A, Tsaneva-Atanasova, Krasimira, Schuster, Stephan C, Chotirmall, Sanjay H

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Study of grain boundary self-diffusion in iron with different atomistic models von Starikov, S., Mrovec, M., Drautz, R.

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Performant implementation of the atomic cluster expansion (PACE) and application to copper and silicon von Lysogorskiy, Yury, Oord, Cas van der, Bochkarev, Anton, Menon, Sarath, Rinaldi, Matteo, Hammerschmidt, Thomas, Mrovec, Matous, Thompson, Aidan, Csányi, Gábor, Ortner, Christoph, Drautz, Ralf

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Frequency of disturbance alters diversity, function, and underlying assembly mechanisms of complex bacterial communities von Santillan, Ezequiel, Seshan, Hari, Constancias, Florentin, Drautz-Moses, Daniela I., Wuertz, Stefan

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Ionic Conductivity and Its Dependence on Structural Disorder in Halogenated Argyrodites Li6PS5X (X = Br, Cl, I) von Stamminger, Andreas R, Ziebarth, Benedikt, Mrovec, Matous, Hammerschmidt, Thomas, Drautz, Ralf

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Atomic Cluster Expansion for Quantum-Accurate Large-Scale Simulations of Carbon von Qamar, Minaam, Mrovec, Matous, Lysogorskiy, Yury, Bochkarev, Anton, Drautz, Ralf

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Efficient Parametrization of Transferable Atomic Cluster Expansion for Water von Ibrahim, Eslam, Lysogorskiy, Yury, Drautz, Ralf

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Structure vs. chemistry: Alternate mechanisms for controlling leaf microbiomes von Lau, Kenny J X, Gusareva, Elena S, Luhung, Irvan, Premkrishnan, Balakrishnan N V, Wong, Anthony, Poh, Tuang Yeow, Uchida, Akira, Oliveira, Elaine L, Drautz-Moses, Daniela I, Junqueira, Ana Carolina M, Schuster, Stephan C

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Identification of a multi-dimensional reaction coordinate for crystal nucleation in Ni3Al von Díaz Leines, Grisell, Drautz, Ralf, Rogal, Jutta

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Insights into bear evolution from a Pleistocene polar bear genome von Lan, Tianying, Leppälä, Kalle, Tomlin, Crystal, Talbot, Sandra L., Sage, George K., Farley, Sean D., Shideler, Richard T., Bachmann, Lutz, Wiig, Øystein, Albert, Victor A., Salojärvi, Jarkko, Mailund, Thomas, Drautz-Moses, Daniela I., Schuster, Stephan C., Herrera-Estrella, Luis, Lindqvis, Charlotte

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Off-stoichiometric softening and polytypic transformations in the plastic deformation of the C14 Fe 2 Nb Laves phase von Ladines, A.N., Drautz, R., Hammerschmidt, T.

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