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Computational Discovery

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2 results in Keywords: Computational Discovery

Theoretical and Computational Chemistry

Stk: An Extendable Python Framework for Automated Molecular and Supramolecular Structure Assembly and Discovery

Lukas Turcani, Andrew Tarzia, Filip Szczypiński, Kim Jelfs

Version 2 posted 10 May 2021

564

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Theoretical and Computational Chemistry

Computational Discovery of Promising New n-type Dopable ABX Zintl Thermoelectric Materials

Prashun Gorai, Alex Ganose, Alireza Faghaninia, Anubhav Jain, Vladan Stevanovic

Version 1 posted 07 February 2020

846

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