Into the Unknown: How Computation Can Help Explore Uncharted Material Space.

ABSTRACT: Novel functional materials are urgently needed to help combat the major global challenges facing humanity, such as climate change and resource scarcity. Yet, the traditional experimental materials discovery process is slow and the material space at our disposal is too vast to effectively explore using intuition-guided experimentation alone. Most experimental materials discovery programs necessarily focus on exploring the local space of known materials, so we are not fully exploiting the enormous potential material space, where more novel materials with unique properties may exist. Computation, facilitated by improvements in open-source software and databases, as well as computer hardware has the potential to significantly accelerate the rational development of materials, but all too often

SUBMITTER: Mroz AM 

PROVIDER: S-EPMC9585593 | biostudies-literature | 2022 Oct

REPOSITORIES: biostudies-literature