Personal information

Emails & domains

Verified email domains

Other IDs

ResearcherID: AAS-2448-2020

Activities

Collapse all

Education and qualifications (1)

University of Minnesota Twin Cities: Minneapolis, MN, US

2018-08 to 2023-12 | Ph.D. in Chemistry
Education
Source: Self-asserted source
Dayou Zhang

Works (16)

Dual-Level Parametrically Managed Neural Network Method for Learning a Potential Energy Surface for Efficient Dynamics

Journal of Chemical Theory and Computation
2025-02-27 | Journal article
DOI: 10.1021/acs.jctc.4c01546
Contributors: Suman Bhaumik; Dayou Zhang; Yinan Shu; Donald G. Truhlar
Source: check_circle
Crossref

A hybrid meta on-top functional for multiconfiguration pair-density functional theory

Proceedings of the National Academy of Sciences
2025-01-07 | Journal article
DOI: 10.1073/pnas.2419413121
Contributors: Jie J. Bao; Dayou Zhang; Shaoting Zhang; Laura Gagliardi; Donald G. Truhlar
Source: check_circle
Crossref

DC24: A new density coherence functional for multiconfiguration density‐coherence functional theory

Journal of Computational Chemistry
2025-01-05 | Journal article
DOI: 10.1002/jcc.27522
Contributors: Dayou Zhang; Yinan Shu; Donald G. Truhlar
Source: check_circle
Crossref

A Hybrid Meta On-Top Functional for Multiconfiguration Pair-Density Functional Theory

2024-10-10 | Preprint
DOI: 10.26434/chemrxiv-2024-5hc8g-v2
Contributors: Jie J. Bao; Dayou Zhang; Shaoting Zhang; Laura Gagliardi; Donald Truhlar
Source: check_circle
Crossref

DC24: A New Density Coherence Functional for Multiconfiguration Density-Coherence Functional Theory

2024-10-08 | Preprint
DOI: 10.26434/chemrxiv-2024-78tt8-v2
Contributors: Dayou Zhang; Yinan Shu; Donald G. Truhlar
Source: check_circle
Crossref

A Hybrid Meta On-Top Functional for Multiconfiguration Pair-Density Functional Theory

2024-10-03 | Preprint
DOI: 10.26434/chemrxiv-2024-5hc8g
Contributors: Jie J. Bao; Dayou Zhang; Shaoting Zhang; Laura Gagiardi; Donald Truhlar
Source: check_circle
Crossref

DC24: A New Density Coherence Functional for Multiconfiguration Density-Coherence Functional Theory

2024-08-13 | Preprint
DOI: 10.26434/chemrxiv-2024-78tt8
Contributors: Dayou Zhang; Yinan Shu; Donald G. Truhlar
Source: check_circle
Crossref

ChemPotPy: A Python Library for Analytic Representations of Potential Energy Surfaces and Diabatic Potential Energy Matrices

The Journal of Physical Chemistry A
2023-11-16 | Journal article
DOI: 10.1021/acs.jpca.3c05899
Contributors: Yinan Shu; Zoltan Varga; Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref

An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory

Journal of Chemical Theory and Computation
2023-10-10 | Journal article
DOI: 10.1021/acs.jctc.3c00741
Contributors: Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref

Electronic structure of strongly correlated systems: recent developments in multiconfiguration pair-density functional theory and multiconfiguration nonclassical-energy functional theory

Chemical Science
2022 | Journal article
DOI: 10.1039/D2SC01022D
Contributors: Chen Zhou; Matthew R. Hermes; Dihua Wu; Jie J. Bao; Riddhish Pandharkar; Daniel S. King; Dayou Zhang; Thais R. Scott; Aleksandr O. Lykhin; Laura Gagliardi et al.
Source: check_circle
Crossref

Global Potential Energy Surfaces by Compressed-State Multistate Pair-Density Functional Theory: The Lowest Doublet States Responsible for the N(4Su) + C2(a 3Πu) → CN(X 2Σ+) + C(3Pg) Reaction

Journal of Chemical Theory and Computation
2022-12-13 | Journal article
DOI: 10.1021/acs.jctc.2c00936
Contributors: Junxiang Zuo; Dayou Zhang; Donald G. Truhlar; Hua Guo
Source: check_circle
Crossref

Decomposition of the Electronic Energy in Terms of Density, Density Coherence, and the Connected Part of the Two-Body Reduced Density Matrix

Journal of Chemical Theory and Computation
2021-09-14 | Journal article
DOI: 10.1021/acs.jctc.1c00679
Contributors: Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref

Multiconfiguration Density-Coherence Functional Theory

Journal of Chemical Theory and Computation
2021-05-11 | Journal article
DOI: 10.1021/acs.jctc.0c01346
Contributors: Dayou Zhang; Matthew R. Hermes; Laura Gagliardi; Donald G. Truhlar
Source: check_circle
Crossref

Multiconfigurational Effects on the Density Coherence

Journal of Chemical Theory and Computation
2020-11-10 | Journal article
DOI: 10.1021/acs.jctc.0c00903
Contributors: Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref

Unmasking Static Correlation Error in Hybrid Kohn–Sham Density Functional Theory

Journal of Chemical Theory and Computation
2020-09-08 | Journal article
DOI: 10.1021/acs.jctc.0c00585
Contributors: Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref

Spin Splitting Energy of Transition Metals: A New, More Affordable Wave Function Benchmark Method and Its Use to Test Density Functional Theory

Journal of Chemical Theory and Computation
2020-07-14 | Journal article
DOI: 10.1021/acs.jctc.0c00518
Contributors: Dayou Zhang; Donald G. Truhlar
Source: check_circle
Crossref
How many people are using ORCID?