Emerging trends in machine learning: a polymer perspective

TB Martin, DJ Audus - ACS Polymers Au, 2023 - ACS Publications
In the last five years, there has been tremendous growth in machine learning and artificial
intelligence as applied to polymer science. Here, we highlight the unique challenges …

Machine learning for analysis of experimental scattering and spectroscopy data in materials chemistry

AS Anker, KT Butler, R Selvan, KMØ Jensen - Chemical Science, 2023 - pubs.rsc.org
The rapid growth of materials chemistry data, driven by advancements in large-scale
radiation facilities as well as laboratory instruments, has outpaced conventional data …

A close look at molecular self-assembly with the transmission electron microscope

A Rizvi, JT Mulvey, BP Carpenter, R Talosig… - Chemical …, 2021 - ACS Publications
Molecular self-assembly is pervasive in the formation of living and synthetic materials.
Knowledge gained from research into the principles of molecular self-assembly drives …

Computational reverse-engineering analysis for scattering experiments (CREASE) with machine learning enhancement to determine structure of nanoparticle …

CM Heil, A Patil, A Dhinojwala… - ACS central science, 2022 - ACS Publications
We present a new open-source, machine learning (ML) enhanced computational method for
experimentalists to quickly analyze high-throughput small-angle scattering results from …

Characterizing polymer structure with small-angle neutron scattering: A Tutorial

Y Wei, MJA Hore - Journal of Applied Physics, 2021 - pubs.aip.org
Small-angle neutron scattering (SANS) is a powerful technique that has been widely used to
study polymer materials. In particular, it can provide information on the size, shape, and …

Data-driven design of polymer-based biomaterials: high-throughput simulation, experimentation, and machine learning

RA Patel, MA Webb - ACS Applied Bio Materials, 2023 - ACS Publications
Polymers, with the capacity to tunably alter properties and response based on manipulation
of their chemical characteristics, are attractive components in biomaterials. Nevertheless …

Computational Reverse-Engineering Analysis for Scattering Experiments for Form Factor and Structure Factor Determination (“P(q) and S(q) CREASE”)

CM Heil, Y Ma, B Bharti, A Jayaraman - JACS Au, 2023 - ACS Publications
In this paper, we present an open-source machine learning (ML)-accelerated computational
method to analyze small-angle scattering profiles [I (q) vs q] from concentrated …

Highly ordered Pt-based nanoparticles directed by the self-assembly of block copolymers for the oxygen reduction reaction

Z Wang, Y Mai, Y Yang, L Shen… - ACS Applied Materials & …, 2021 - ACS Publications
Designing Pt-based nanoparticle (NP) catalysts is of great interest for the lowering of Pt
usage and the enhancement of catalytic activity on the proton-exchange membrane fuel …

Machine learning enhanced computational reverse engineering analysis for scattering experiments (crease) to determine structures in amphiphilic polymer solutions

MG Wessels, A Jayaraman - ACS Polymers Au, 2021 - ACS Publications
In this article, we present a machine learning enhancement for our recently developed
“Computational Reverse Engineering Analysis for Scattering Experiments”(CREASE) …

A three-dimensional ordered honeycomb nanostructure anchored with Pt–N active sites via self-assembly of a block copolymer: an efficient electrocatalyst towards the …

Z Wang, Y Yang, X Wang, Z Lu, C Guo, Y Shi… - Journal of materials …, 2022 - pubs.rsc.org
Mesoporous Pt-containing nanocomposites with well-organized pores are desirable for fuel
cells as well as sensors, electronics, and various chemical reactions. However, it remains …