Bi‐Functional On‐Surface Molecular Assemblies Predicted From a Multifaceted Computational Approach

Bi‐Functional On‐Surface Molecular Assemblies Predicted From a Multifaceted Computational Approach

Abstract Molecular self‐assembly will not become a routine method for building nanomaterials unless our ability to predict the outcome of this process is dramatically improved. Even then, reliable strategies for realizing molecular assemblies with novel functionality are required for building nanoma...

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Bibliographic Details
Main Author: Daniel M. Packwood
Format: Article
Language:English
Published: Wiley-VCH 2022-12-01
Series:Advanced Physics Research
Subjects:
density functional theory
machine learning
self‐assembly
simulations
surfaces
Online Access:https://doi.org/10.1002/apxr.202200019

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