About: Yihan Shao

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researcher

Attributes	Values
rdf:type	Item
description	researcher (en) 연구원 (ko) 研究者 (ja) araştırmacı (tr) Chemiker (de) wetenschapper (nl) дослідник (uk) वैज्ञानिक (hi) изилдөөчү (ky) 研究者 (zh) հետազոտող (hy)
rdfs:label	Yihan Shao (de) Yihan Shao (en) Yihan Shao (es) Yihan Shao (nl) Yihan Shao (sq) Yihan Shao (ast)
skos:prefLabel	Yihan Shao (de) Yihan Shao (en) Yihan Shao (es) Yihan Shao (nl) Yihan Shao (sq) Yihan Shao (ast)
name	Yihan Shao (de) Yihan Shao (en) Yihan Shao (es) Yihan Shao (nl) Yihan Shao (sq) Yihan Shao (ast)
Scopus author ID	wds:Q57195089-240793EE-312A-41F4-8D73-5B262EEAC8CB
Scopus author ID	7201599012
instance of	wds:Q57195089-C402C087-24DF-4D3F-B0DF-2B2D9998FB4A
instance of	Homo sapiens
zbMATH author ID	wds:Q57195089-091271E9-C11D-44D5-868C-85763FA4E1E7
zbMATH author ID	shao.yihan
work location	wds:Q57195089-618D4A74-214A-4B20-B360-66BA857E705D
work location	Pleasanton
occupation	wds:Q57195089-D5620CFA-7DDD-433C-AFEF-FD93C6426E97
employer	wds:Q57195089-8FE6ED26-A38C-4ADE-BF56-116154ECA90C
VIAF ID	wds:Q57195089-7B92B54D-81A8-4929-8BE3-BA37C59763AD
GND ID	wds:Q57195089-97ABEE22-E2BA-4818-9CB3-DE8D704858C1
DBLP author ID	wds:Q57195089-CE69555A-887B-40C3-A309-0C736AA43380
maintained by WikiProject	wds:Q57195089-091B6DF3-D655-4DAF-AE62-9D15278033FF
educated at	wds:Q57195089-A0C92784-42FD-4A04-8CEB-0DCE6EF1C278 wds:Q57195089-E66C1224-222E-4949-9955-C252DB67F3D2
WorldCat Identities ID (superseded)	wds:Q57195089-1F0796D9-73C7-457E-B01C-30276C83E918
VIAF ID	http://viaf.org/viaf/4131151353528952720007
GND ID	https://d-nb.info/gnd/1148568107
DBLP author ID	https://dblp.org/pid/94/5829.rdf
occupation	chemist
employer	University of Oklahoma
VIAF ID	4131151353528952720007
GND ID	1148568107
DBLP author ID	94/5829
maintained by WikiProject	WikiProject Mathematics
educated at	University of California, Berkeley Nanjing University
WorldCat Identities ID (superseded)	viaf-4131151353528952720007
ORCID iD	wds:Q57195089-464A91AA-585F-4245-82B8-55B739903533
ORCID iD	https://orcid.org/0000-0001-9337-341X
ORCID iD	0000-0001-9337-341X
is about of	https://www.wikidata.org/wiki/Special:EntityData/Q57195089
is author of	Advances in methods and algorithms in a modern quantum chemistry program package. Vibrational subsystem analysis: A method for probing free energies and correlations in the harmonic limit Advances in molecular quantum chemistry contained in the Q-Chem 4 program package An improved algorithm for analytical gradient evaluation in resolution-of-the-identity second-order Møller-Plesset perturbation theory: Application to alanine tetrapeptide conformational analysis Fast evaluation of scaled opposite spin second-order Møller-Plesset correlation energies using auxiliary basis expansions and exploiting sparsity Accelerating resolution-of-the-identity second-order Møller-Plesset quantum chemistry calculations with graphical processing units Accelerating Correlated Quantum Chemistry Calculations Using Graphical Processing Units and a Mixed Precision Matrix Multiplication Library General formulation of spin-flip time-dependent density functional theory using non-collinear kernels: theory, implementation, and benchmarks Efficient treatment of induced dipoles Superposition of Fragment Excitations for Excited States of Large Clusters with Application to Helium Clusters Dual-basis second-order Moller-Plesset perturbation theory: A reduced-cost reference for correlation calculations Boramino acid as a marker for amino acid transporters Extension of the Effective Fragment Potential Method to Macromolecules Calculating distribution coefficients based on multi-scale free energy simulations: an evaluation of MM and QM/MM explicit solvent simulations of water-cyclohexane transfer in the SAMPL5 challenge Efficient self-consistent DFT calculation of nondynamic correlation based on the B05 method General implementation of the resolution-of-the-identity and Cholesky representations of electron repulsion integrals within coupled-cluster and equation-of-motion methods: theory and benchmarks Quartic-Scaling Analytical Energy Gradient of Scaled Opposite-Spin Second-Order Møller-Plesset Perturbation Theory Dual-basis analytic gradients. 1. Self-consistent field theory Efficient Calculation of QM/MM Frequencies with the Mobile Block Hessian. Computation of Hydration Free Energies Using the Multiple Environment Single System Quantum Mechanical/Molecular Mechanical Method An efficient protocol for obtaining accurate hydration free energies using quantum chemistry and reweighting from molecular dynamics simulations Calculations of Solvation Free Energy through Energy Reweighting from Molecular Mechanics to Quantum Mechanics A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation Derivative couplings between TDDFT excited states obtained by direct differentiation in the Tamm-Dancoff approximation Erratum: "Complex absorbing potentials within EOM-CC family of methods: Theory, implementation, and benchmarks" [J. Chem. Phys. 141, 024102 (2014)]. Analytic derivative couplings between configuration-interaction-singles states with built-in electron-translation factors for translational invariance. Complex absorbing potentials within EOM-CC family of methods: theory, implementation, and benchmarks. Fast methods for resumming matrix polynomials and Chebyshev matrix polynomials Efficient Strategy for the Calculation of Solvation Free Energies in Water and Chloroform at the Quantum Mechanical/Molecular Mechanical Level Combined QM/MM calculations of active-site vibrations in binding process of P450cam to putidaredoxin Performance of the AMOEBA Water Model in the Vicinity of QM Solutes: A Diagnosis Using Energy Decomposition Analysis An efficient method for calculating maxima of homogeneous functions of orthogonal matrices: applications to localized occupied orbitals Sparse matrix multiplications for linear scaling electronic structure calculations in an atom-centered basis set using multiatom blocks Analytic Derivatives of Quartic-Scaling Doubly Hybrid XYGJ-OS Functional: Theory, Implementation, and Benchmark Comparison with M06-2X and MP2 Geometries for Nonbonded Compelexes Bonding Patterns in Benzene Triradicals from Structural, Spectroscopic, and Thermochemical Perspectives The spin–flip approach within time-dependent density functional theory: Theory and applications to diradicals Accelerated Computation of Free Energy Profile at ab Initio Quantum Mechanical/Molecular Mechanics Accuracy via a Semi-Empirical Reference Potential. I. Weighted Thermodynamics Perturbation

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