Yuanchang H. Li

Key Lab Of Advanced Optoelectronic Quantum Architecture And Measurement
Beijing, 100081, China

Last Updated: 09/26/2026

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Found 33 publications

Minimizing propagated density errors of atomic core-electron for simultaneously accurate bandgaps and lattice constants in closed-shell copper semiconductors.

Minimizing propagated density errors of atomic core-electron for simultaneously accurate bandgaps and lattice constants in closed-shell copper semiconductors.

Journal: The Journal of chemical physics

Published: May 09, 2026

A Ferromagnetic Polar Metal With Efficient Electrical Switch of Magnetism.

A Ferromagnetic Polar Metal With Efficient Electrical Switch of Magnetism.

Journal: Advanced materials (Deerfield Beach, Fla.)

Published: March 17, 2026

Rheological behavior, mechanical strength, and hydration of hemihydrate phosphogypsum backfill material: Effect of type and dosage of superplasticizer.

Rheological behavior, mechanical strength, and hydration of hemihydrate phosphogypsum backfill material: Effect of type and dosage of superplasticizer.

Journal: Environmental research

Published: January 30, 2026

Pseudopotentials, an Overlooked Source and Remedy of DFT Errors.

Pseudopotentials, an Overlooked Source and Remedy of DFT Errors.

Journal: Journal of chemical theory and computation

Published: November 20, 2025

Water resistance and hydration mechanism of phosphogypsum cemented paste backfill under composite curing agent modification.

Water resistance and hydration mechanism of phosphogypsum cemented paste backfill under composite curing agent modification.

Journal: Environmental research

Published: May 22, 2025

Possibility of Type-III Multiferroics Hosting d^{0} Ferroelectricity and d^{0} Ferromagnetism.

Possibility of Type-III Multiferroics Hosting d^{0} Ferroelectricity and d^{0} Ferromagnetism.

Journal: Physical review letters

Published: March 27, 2025

A way to identify whether a DFT gap is from right reasons or error cancellations: The case of copper chalcogenides.

A way to identify whether a DFT gap is from right reasons or error cancellations: The case of copper chalcogenides.

Journal: The Journal of chemical physics

Published: January 09, 2024

On the bandgap underestimation of delafossite transparent conductive oxides CuMO2 (M = Al, Ga and In): Role of pseudopotentials.

On the bandgap underestimation of delafossite transparent conductive oxides CuMO2 (M = Al, Ga and In): Role of pseudopotentials.

Journal: The Journal of chemical physics

Published: March 27, 2023

Accuracy trade-off between one-electron and excitonic spectra of cuprous halides in first-principles calculations.

Accuracy trade-off between one-electron and excitonic spectra of cuprous halides in first-principles calculations.

Journal: The Journal of chemical physics

Published: April 09, 2021

Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene.

Spin-Triplet Excitonic Insulator: The Case of Semihydrogenated Graphene.

Journal: Physical review letters

Published: November 10, 2019

Understanding the origin of bandgap problem in transition and post-transition metal oxides.

Understanding the origin of bandgap problem in transition and post-transition metal oxides.

Journal: The Journal of chemical physics

Published: October 03, 2019

High-Yield Formation of Graphdiyne Macrocycles through On-Surface Assembling and Coupling Reaction.

High-Yield Formation of Graphdiyne Macrocycles through On-Surface Assembling and Coupling Reaction.

Journal: ACS nano

Published: December 05, 2018

Showing 1-12 of 33

Last Updated: 09/26/2026