Wednesday, March 17, 2021
11:30AM - 11:42AM
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M41.00001: High throughput search for polaronic materials
Pedro Melo, Joao Carlos Abreu, Bogdan Guster, Matteo Giantomassi, Xavier Gonze, Matthieu Verstraete
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Wednesday, March 17, 2021
11:42AM - 11:54AM
Live
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M41.00002: High-throughput searches for novel 2D and 1D materials
Davide Campi, Nicolas Mounet, Marco Gibertini, Antimo Marrazzo, Thibault Sohier, Giovanni Pizzi, Nicola Marzari
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Wednesday, March 17, 2021
11:54AM - 12:06PM
Live
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M41.00003: Discovering new materials with the AiiDAlab platform: examples from a combined computational/experimental research laboratory
Aliaksandr V. Yakutovich, Kristjan Eimre, Ole Schütt, Leopold Talirz, Carl S. Adorf, Casper W. Andersen, Edward Ditler, Dou Du, Daniele Passerone, Berend Smit, Nicola Marzari, Giovanni Pizzi, Carlo Antonio Pignedoli
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Wednesday, March 17, 2021
12:06PM - 12:18PM
Live
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M41.00004: Generating a FAIR crystal-structure database with the AiiDA informatics infrastructure
Sebastiaan P. Huber, Marnik Bercx, Nicolas Hörmann, Giovanni Pizzi, Nicola Marzari
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Wednesday, March 17, 2021
12:18PM - 12:30PM
Live
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M41.00005: Capturing the full momentum dependency in diagrammatic calculations
Simão João, Aires Ferreira, João Manuel Viana Parente Lopes
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Wednesday, March 17, 2021
12:30PM - 12:42PM
Live
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M41.00006: MechElastic: A Python Library for Analysis of Mechanical and Elastic Properties
Sobhit Singh, Logan Lang, Viviana Dovale-Farelo, Uthpala Herath, Pedram Tavadze, Francois-Xavier Coudert, Aldo H Romero
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Wednesday, March 17, 2021
12:42PM - 12:54PM
Live
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M41.00007: Two- and three-body tight-binding model for efficient materials design
Kevin Garrity, Kamal Choudhary
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Wednesday, March 17, 2021
12:54PM - 1:06PM
Live
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M41.00008: Structure prediction of ionic materials using the Minima Hopping method and the CENT machine learning potential
Stefan A Goedecker, Hossein Tahmasbi, Ehsan Rahmatizad Khajehpasha, Samare Rostami, Hossein Asnaashari, Somayeh Faraji, Maximilian Amsler, S. Alireza Ghasemi
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Wednesday, March 17, 2021
1:06PM - 1:18PM
Live
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M41.00009: Finger prints based biasing for finding complex reaction pathways
Deb De, Marco Krummenacher, Stefan A Goedecker
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Wednesday, March 17, 2021
1:18PM - 1:30PM
Live
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M41.00010: Automated in silico optimisation of nanoporous material morphology for enhanced carbon dioxide adsorption
Rodrigo Ferreira, Fausto Martelli, Binquan Luan, Tonia Elengikal, Anshul Gupta, Guojing Cong, Mathias Steiner, Thomas Peters, Flor Siperstein, Breanndan O Conchuir
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Wednesday, March 17, 2021
1:30PM - 1:42PM
Live
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M41.00011: Measurement of sub pm/V in-plane piezo-coupling coefficients using lateral PFM
Sai Saraswathi Yarajena, Akshay K Naik
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Wednesday, March 17, 2021
1:42PM - 1:54PM
Live
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M41.00012: Improved method for measuring crystal orientation of strained graphene using polarization dependence of Raman G band and 2D bands
Hikari Tomori, Kazushi Nakamura, Akinobu Kanda
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Wednesday, March 17, 2021
1:54PM - 2:06PM
Live
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M41.00013: Genarris 2.0: A Random Structure Generator for Molecular Crystals
Rithwik Tom, Tim C Rose, Imanuel Bier, Harriet O'Brien, Alvaro Vazquez-Mayagoitia, Noa Marom
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Wednesday, March 17, 2021
2:06PM - 2:18PM
Live
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M41.00014: Space group predictions in inverse materials search
BIN XI, Kinfai Tse, Tsz Fung Kok, Junyi Zhu
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