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MS-5b: Crystal structure prediction
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Presentations | ||
2:45pm - 3:05pm
Le mieux est l'enemi du bon; homology modelling with Phyre2 in a deep learning world Imperial College London, United Kingdom External Resource: https://www.xray.cz/iucrv/vidp.asp?id=419
3:05pm - 3:25pm
Prediction of the atomic structure of two-dimensional materials on substrates 11 Moscow Institute of Physics and Technology, 9 Institutsky lane, Dolgoprudny 141701, Russian Federation; 2Skolkovo Institute of Science and Technology, Skolkovo Innovation Center, 3 Nobel Street, Moscow 121205, Russian Federation; 3Dukhov Research Institute of Automatics (VNIIA), Moscow 127055, Russian Federation External Resource: https://www.xray.cz/iucrv/vidp.asp?id=420
3:25pm - 3:45pm
Nucleating different coordination in crystal under pressure: Study of B1-B2 transition in NaCl by metadynamics 1SISSA – Scuola Internazionale Superiore di Studi Avanzati, Via Bonomea 265, 34136 Trieste, Italy; 2Department of Experimental Physics, Comenius University, Mlynská Dolina F2, 842 48 Bratislava, Slovakia External Resource: https://www.xray.cz/iucrv/vidp.asp?id=421
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