Qianxiang Ai

发表

Even–Odd Alkyl Chain-Length Alternation Regulates Oligothiophene Crystal Structure

S. Parkin, C. Risko, Edmund K. Burnett, 2019, Chemistry of Materials.

TOWARDS THE RATIONAL DESIGN OF ORGANIC SEMICONDUCTORS THROUGH COMPUTATIONAL APPROACHES

Qianxiang Ai, 2020 .

Noncovalent Close Contacts in Fluorinated Thiophene–Phenylene–Thiophene Conjugated Units: Understanding the Nature and Dominance of O···H versus S···F and O···F Interactions with Respect to the Control of Polymer Conformation

C. Risko, S. Coles, Qianxiang Ai, 2019, Chemistry of Materials.

Non-covalent close contacts in fluorinated thiophene-phenylene-thiophene conjugated units: understanding the nature and dominance of O···H versus S···F and O···F interactions towards the control of polymer conformation

S. Coles, Qianxiang Ai, Chad, 2019 .

Unusual Electronic Structure of the Donor-Acceptor Cocrystal Formed by Dithieno[3,2-a:2',3'-c]phenazine and 7,7,8,8-Tetracyanoquinodimethane.

C. Risko, Qianxiang Ai, T. Timofeeva, 2017, The journal of physical chemistry letters.

SELFIES and the future of molecular string representations

Guido Falk von Rudorff, Nathan C Frey, Senja Barthel, 2022, Patterns.

Synthesis and electronic properties of a linearly fused anthracene dimer

C. Risko, J. Anthony, G. Gribble, 2020 .

An unusually short intermolecular N—H⋯N hydrogen bond in crystals of the hemi-hydrochloride salt of 1-exo-acetamidopyrrolizidine

R. B. Grossman, S. Parkin, Qianxiang Ai, 2020, Acta crystallographica. Section E, Crystallographic communications.

Exploiting excited-state aromaticity to design highly stable singlet fission materials.

Kealan J. Fallon, R. Friend, A. Rao, 2019, Journal of the American Chemical Society.

Impact of Atomistic Substitution on Thin-Film Structure and Charge Transport in a Germanyl-ethynyl Functionalized Pentacene

S. Parkin, C. Risko, J. Anthony, 2019, Chemistry of Materials.

Delimited Polyacenes: Edge Topology as a Tool to Modulate Carbon Nanoribbon Structure, Conjugation, and Mobility

C. Risko, J. Anthony, Qianxiang Ai, 2018 .

Organic Semiconductors Derived from Dinaphtho-Fused s-Indacenes: How Molecular Structure and Film Morphology Influence Thin-Film Transistor Performance

L. Zakharov, C. Risko, M. Haley, 2019, Chemistry of Materials.

Suppressing bias stress degradation in high performance solution processed organic transistors operating in air

C. Risko, J. Anthony, I. McCulloch, 2021, Nature Communications.

OCELOT: An infrastructure for data-driven research to discover and design crystalline organic semiconductors.

Chad Risko, Qianxiang Ai, Vinayak Bhat, 2021, Journal of Chemical Physics.

Understanding the effect of host structure of nitrogen doped ultrananocrystalline diamond electrode on electrochemical carbon dioxide reduction

Md. Ariful Hoque, M. Guzman, C. Risko, 2020 .

14 Examples of How LLMs Can Transform Materials Science and Chemistry: A Reflection on a Large Language Model Hackathon

Ghezal Ahmad Jan Zia, Samuel G. Rodriques, Logan T. Ward, 2023, 2306.06283.

Predicting compositional changes of organic-inorganic hybrid materials with Augmented CycleGAN

Joshua Schrier, Qianxiang Ai, A. Norquist, 2022, Digital Discovery.

Predicting inorganic dimensionality in templated metal oxides.

Matthew L. Danielson, M. Zeller, Joshua Schrier, 2021, The Journal of chemical physics.

14 examples of how LLMs can transform materials science and chemistry: a reflection on a large language model hackathon

Ghezal Ahmad Jan Zia, Samuel G. Rodriques, Logan T. Ward, 2023, Digital discovery.

Multiexciton quintet state populations in a rigid pyrene-bridged parallel tetracene dimer

C. Risko, N. Damrauer, Qianxiang Ai, 2023, Chemical science.