Concepedia

A database of molecular properties integrated in the Materials Project

Evan Walter Clark Spotte‐Smith, Orion Cohen, Samuel M. Blau, Jason M. Munro, Ruoxi Yang, Rishabh D. Guha, Hetal D. Patel, Sudarshan Vijay, Patrick Huck, Ryan Kingsbury,

Digital Discovery · 2023 · 30 citations · 61 references

DOIFull text

Open access

Concepts

Abstract

A new infrastructure for computed molecular properties, including a web app and API, is incorporated into the Materials Project, enabling the creation of a database currently containing over 170 000 molecules.

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