You need an account to export. Log in to download this list.

Publications

45 rows, counting the CV or the Scholar profile
Export

Core

Profile fields

Catalogue

2026 Biocatalytic site-and stereoselective carbonyl desaturation for late-stage functionalization of cyclic ketones Tianyu Zhu · Nature Chemistry · Scholar only 5 2026 First hydration shell integrity: Key to protein stability Tianyu Zhu · Journal of the American Chemical Society · Scholar only 0 2026 LibppRPA: An open-source library for particle–particle random phase approximation Tianyu Zhu · The Journal of chemical physics · Scholar only 2026 Low-Scaling Many-Body Green’s Function Calculations for Molecular Systems via Interacting-Bath Dynamical Embedding Theory Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 1 2026 Photopatternable Thermochromism Enabled by an Anthracene Heterodimer Ligand Tianyu Zhu · Journal of the American Chemical Society · Scholar only 4 2026 Repurposing “Ene”-Reductase to Isomerase for Enantiodivergent Synthesis of Allenoates Tianyu Zhu · Journal of the American Chemical Society · Scholar only 2 2026 The Python Simulations of Chemistry Framework: 10 years of an open-source quantum chemistry project Tianyu Zhu · The Journal of Chemical Physics · Scholar only 13 2026 Toward an exact quantum many-body treatment of Kondo correlation in magnetic impurities Tianyu Zhu · Science · Scholar only 8 2025 Accurate and efficient prediction of double excitation energies using the particle–particle random phase approximation Tianyu Zhu · The Journal of Chemical Physics · Scholar only 11 2025 Energy-specific Bethe–Salpeter equation implementation for efficient optical spectrum calculations Tianyu Zhu · The Journal of Chemical Physics · Scholar only 12 2025 Unified deep learning framework for many-body quantum chemistry via Green’s functions Tianyu Zhu · Nature Computational Science · Scholar only 32 2024 Accurate excitation energies of point defects from fast particle–particle random phase approximation calculations Tianyu Zhu · The Journal of Physical Chemistry Letters · Scholar only 22 2024 Correlation in extended systems: general discussion Tianyu Zhu · Faraday Discussions · Scholar only 3 2024 Impact of Potential and Active-Site Environment on Single-Iron-Atom-Catalyzed Electrochemical CO2 Reduction from Accurate Quantum Many-Body Simulations Tianyu Zhu · ACS Catalysis · Scholar only 22 2024 Interacting-bath dynamical embedding for capturing nonlocal electron correlation in solids Tianyu Zhu · Physical Review Letters · Scholar only 20 2024 Particle–Particle Random Phase Approximation for Predicting Correlated Excited States of Point Defects Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 13 2024 Restoring translational symmetry in periodic all-orbital dynamical mean-field theory simulations Tianyu Zhu · Faraday discussions · Scholar only 3 2023 Block2: A comprehensive open source framework to develop and apply state-of-the-art DMRG algorithms in electronic structure and beyond Tianyu Zhu · The Journal of Chemical Physics · Scholar only 186 2023 Machine Learning Many-Body Green’s Functions for Molecular Excitation Spectra Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 30 2022 Gaussian-based quasiparticle self-consistent GW for periodic systems Tianyu Zhu · The Journal of Chemical Physics · Scholar only 23 2022 Periodic coupled-cluster Green’s function for photoemission spectra of realistic solids Tianyu Zhu · The Journal of Physical Chemistry Letters · Scholar only 17 2021 Ab Initio Full Cell for Correlated Materials Tianyu Zhu · Physical Review X · Scholar only 104 2021 All-Electron Gaussian-Based G0W0 for Valence and Core Excitation Energies of Periodic Systems Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 84 2020 Charge transfer in molecular materials Tianyu Zhu · Handbook of Materials Modeling: Methods: Theory and Modeling · Scholar only 12 2020 Photoenzymatic Hydrogenation of Heteroaromatic Olefins Using ‘Ene’‐Reductases with Photoredox Catalysts Tianyu Zhu · Angewandte Chemie International Edition · Scholar only 111 2020 Recent developments in the PySCF program package Tianyu Zhu · The Journal of chemical physics · Scholar only 1,696 2020 Understanding the Dipole Moment of Liquid Water from a Self-Attractive Hartree Decomposition Tianyu Zhu · The Journal of Physical Chemistry Letters · Scholar only 49 2019 Coupled-cluster impurity solvers for dynamical mean-field theory Tianyu Zhu · Physical Review B · Scholar only 81 2019 Efficient Formulation of Ab Initio Quantum Embedding in Periodic Systems: Dynamical Mean-Field Theory Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 96 2019 Efficient Implementation of Ab Initio Quantum Embedding in Periodic Systems: Density Matrix Embedding Theory Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 169 2019 Extracting design principles for efficient thermally activated delayed fluorescence (TADF) from a simple four-state model Tianyu Zhu · Chemistry of materials · Scholar only 145 2019 Implementation of the many-pair expansion for systematically improving density functional calculations of molecules Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 9 2019 Large Increase in External Quantum Efficiency by Dihedral Angle Tuning in a Sky‐Blue Thermally Activated Delayed Fluorescence Emitter Tianyu Zhu · Advanced Optical Materials · Scholar only 36 2019 Unraveling the fate of host excitons in host–guest phosphorescent organic light-emitting diodes Tianyu Zhu · The Journal of Physical Chemistry C · Scholar only 15 2018 Molecular design of deep blue thermally activated delayed fluorescence materials employing a homoconjugative triptycene scaffold and dihedral angle tuning Tianyu Zhu · Chemistry of Materials · Scholar only 87 2018 Self-attractive Hartree decomposition: Partitioning electron density into smooth localized fragments Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 10 2017 A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation Tianyu Zhu · Scientific reports · Scholar only 25 2017 Long-range interactions from the many-pair expansion: A different avenue to dispersion in DFT Tianyu Zhu · The Journal of Chemical Physics · Scholar only 10 2017 Shorter Exciton Lifetimes via an External Heavy‐Atom Effect: Alleviating the Effects of Bimolecular Processes in Organic Light‐Emitting Diodes Tianyu Zhu · Advanced Materials · Scholar only 126 2016 Charge recombination in phosphorescent organic light-emitting diode host–guest systems through qm/mm simulations Tianyu Zhu · The Journal of Physical Chemistry C · Scholar only 26 2016 Many-electron expansion: A density functional hierarchy for strongly correlated systems Tianyu Zhu · Physical Review B · Scholar only 23 2016 Organic conductive materials and devices Tianyu Zhu · US Patent 10,236 · Scholar only 13 2016 Prediction of excited state energies and singlet-triplet gaps of charge-transfer states using a Restricted Open-Shell Kohn-Sham approach Tianyu Zhu · Journal of Chemical Theory and Computation · Scholar only 126 2016 Salt effect accelerates site-selective cysteine bioconjugation Tianyu Zhu · ACS central science · Scholar only 49 2015 Thermally activated delayed fluorescence materials based on homoconjugation effect of donor–acceptor triptycenes Tianyu Zhu · Journal of the American Chemical Society · Scholar only 416
Back to the list

2026 · article · journal

Biocatalytic site-and stereoselective carbonyl desaturation for late-stage functionalization of cyclic ketones

Nature Chemistry · Tianyu Zhu

on Scholar
5Scholar citations
noneOpenAlex citations

From the CV

Not in the CV.

Where each field came from

FieldCVOpenAlexScholar
title Biocatalytic site-and stereoselective carbonyl desaturation for late-stage functionalization of cyclic ketones (used)
year 2026 (used)
venue Nature Chemistry (used)
kind other (used)
first author Cao (used)

The value in bold is the one the record uses.

How the records were joined

No decision recorded; a single record.