Faculty

Institution

Unit

Venue

Jefferson Bates

Appalachian State University

Affiliations

Appalachian State University

NoneJefferson Bates is currently serving as a Appalachian State University faculty at Appalachian State University.

Honors

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Experiences

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Education

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Jefferson Bates

Appalachian State University

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materials science chemistry physics applied physics transition metal chemistry inorganic chemistry condensed matter physics coordination chemistry random phase approximation theoretical chemistry computational chemistry quantum chemistry mathematical chemistry physical chemistry structural chemistry chemical synthesis crystal engineering crystal research organic synthesis analytical chemistry computational physics numerical simulations inorganic synthesis radical (chemistry) kernel methods crystal structures structure elucidation structure determination meta-generalized gradient approximation quasiparticle energies dinitrogen reduction photochemical activation mechanical science material chemistry biomedical analysis photomedicine condensed matter scientific computing statistical physics statistical mechanics comparative analysis theoretical inorganic chemistry spectra-structure correlation ion structure redox chemistry main group chemistry chemical sensors chemical probes atomic fluorescence spectroscopy symmetry (physics) relaxation process phase equilibrium quantum dynamics layered materials localized excited state coherent process ab-initio methods molecular properties chemical analysis computer-aided engineering electron correlation methods lanthanide elements crystalline molecular complex theoretical comparison density functional semilocality real metallic surfaces benchmark tests long-range dispersion correction semilocal functional many-body perturbation theory protonolysis reactivity

Notable Scholarly Works

Notable Federal Grants

Collaborators

Frozen-Core Analytical Gradients Within the Adiabatic Connection Random-Phase Approximation From an Extended Lagrangian. Journal of Chemical Theory and Computation (2025)

mathematical physicsscientific computingextended lagrangianapplied mathematicsdensity functional theorystatistical physicsrelaxation processcomputational mathematicsphase equilibriumphase transitionsapplied physicsstatistical mechanicsanalytical gradientsphysicscomputational physicsnumerical simulationsquantum dynamicsquantum mechanics

Utilizing Computational Software to Streamline Data Analysis and Reinforce Chemical Concepts. ACS symposium series (2025)

general chemistrymolecular propertiesstreamline data analysischemical analysisinformaticscomputational softwaresystems biologydata sciencecomputational biologymolecular informaticsreinforce chemical conceptscomputational chemistrycomputer-aided engineering

Symmetry Breaking in a Triferrous Extended Metal Atom Chain. Inorganic Chemistry (2024)

symmetry breakingsymmetrycondensed matter physicscondensed matterapplied physicssymmetry (physics)physics

ERRATUM: “Harnessing the Meta-Generalized Gradient Approximation for Time-Dependent Density Functional Theory” [J. Chem. Phys. 137, 164105 (2012)]. The Journal of Chemical Physics (2022)

Jefferson E. BatesMaximillian C. HeicheJiashu LiangFilipp Furche

chemistryquantum chemistrymeta-generalized gradient approximationphysical chemistrytheoretical chemistry

Tension Between Predicting Accurate Ground State Correlation Energies and Excitation Energies From Adiabatic Approximations in Tddft. The Journal of Chemical Physics (2022)

localized excited statecoherent processadiabatic approximationsdensity functional theoryspectroscopyexcitation energiesquantum chemistrycondensed matter physicsapplied physicsphysicscomputational physicstheoretical chemistrycomputational chemistrynumerical simulationsab-initio methods

Utilizing Experiment and Theory to Evaluate Rhodamine B Ethylenediamine as a Fluorescent Sensor for G-Type Nerve Agents. Journal of Fluorescence (2022)

biophysicsfluorescence spectroscopychemical sensorschemical probesg-type nerve agentsfluorescenceatomic fluorescence spectroscopybiomedical engineeringfluorescent sensorbiomedical analysisphotomedicineanalytical chemistrybiosensors

Accurate Ground State- and Quasiparticle Energies: Beyond the Rpa and Gw Methods With Adiabatic Exchange-Correlation Kernels. arXiv (Cornell University) (2019)

Thomas OlsenChristopher E. PatrickJefferson E. BatesAdrienn RuzsinszkyKristian S. Thygesen

particle physicsmaterials scienceadiabatic exchange-correlation kernelsquasiparticle energies

Beyond the Rpa and Gw Methods With Adiabatic XC-Kernels for Accurate Ground State and Quasiparticle Energies. npj Computational Materials (2019)

Thomas OlsenChristopher E. PatrickJefferson E. BatesAdrienn RuzsinszkyKristian S. Thygesen

accurate ground stateadiabatic xc-kernelsmaterials sciencequasiparticle energiescomputational materials science

Exploring the Random Phase Approximation for Materials and Chemical Physics. (2019)

Adrienn RuzsinskySavio LaricchiaJefferson BatesNiladri SenguptaJohn P. Perdew

condensed matter physicsmaterials sciencerandom phase approximation

Treating Different Bonding Situations: Revisiting Au-Cu Alloys Using the Random Phase Approximation. Physical review. B./Physical review. B (2019)

Niraj K. NepalSantosh AdhikariJefferson E. BatesAdrienn Ruzsinszky

advanced materialsau-cu alloyscondensed matter physicsmaterials scienceapplied physicsphysicsrandom phase approximation

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Jefferson Bates

Appalachian State University

Affiliations

Appalachian State University

NoneJefferson Bates is currently serving as a Appalachian State University faculty at Appalachian State University.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

Jefferson Bates

Appalachian State University

You can click a keyword to filter the displayed items

Notable Scholarly Works

Notable Federal Grants

Collaborators

Frozen-Core Analytical Gradients Within the Adiabatic Connection Random-Phase Approximation From an Extended Lagrangian. Journal of Chemical Theory and Computation (2025)

Utilizing Computational Software to Streamline Data Analysis and Reinforce Chemical Concepts. ACS symposium series (2025)

Symmetry Breaking in a Triferrous Extended Metal Atom Chain. Inorganic Chemistry (2024)

symmetry breakingsymmetrycondensed matter physicscondensed matterapplied physicssymmetry (physics)physics

ERRATUM: “Harnessing the Meta-Generalized Gradient Approximation for Time-Dependent Density Functional Theory” [J. Chem. Phys. 137, 164105 (2012)]. The Journal of Chemical Physics (2022)

Jefferson E. BatesMaximillian C. HeicheJiashu LiangFilipp Furche

chemistryquantum chemistrymeta-generalized gradient approximationphysical chemistrytheoretical chemistry

Tension Between Predicting Accurate Ground State Correlation Energies and Excitation Energies From Adiabatic Approximations in Tddft. The Journal of Chemical Physics (2022)

Utilizing Experiment and Theory to Evaluate Rhodamine B Ethylenediamine as a Fluorescent Sensor for G-Type Nerve Agents. Journal of Fluorescence (2022)

Accurate Ground State- and Quasiparticle Energies: Beyond the Rpa and Gw Methods With Adiabatic Exchange-Correlation Kernels. arXiv (Cornell University) (2019)

Thomas OlsenChristopher E. PatrickJefferson E. BatesAdrienn RuzsinszkyKristian S. Thygesen

particle physicsmaterials scienceadiabatic exchange-correlation kernelsquasiparticle energies

Beyond the Rpa and Gw Methods With Adiabatic XC-Kernels for Accurate Ground State and Quasiparticle Energies. npj Computational Materials (2019)

Thomas OlsenChristopher E. PatrickJefferson E. BatesAdrienn RuzsinszkyKristian S. Thygesen

accurate ground stateadiabatic xc-kernelsmaterials sciencequasiparticle energiescomputational materials science

Exploring the Random Phase Approximation for Materials and Chemical Physics. (2019)

Adrienn RuzsinskySavio LaricchiaJefferson BatesNiladri SenguptaJohn P. Perdew

condensed matter physicsmaterials sciencerandom phase approximation

Treating Different Bonding Situations: Revisiting Au-Cu Alloys Using the Random Phase Approximation. Physical review. B./Physical review. B (2019)

Niraj K. NepalSantosh AdhikariJefferson E. BatesAdrienn Ruzsinszky

advanced materialsau-cu alloyscondensed matter physicsmaterials scienceapplied physicsphysicsrandom phase approximation

1
2
3
4
5
10 / page