Faculty

Institution

Unit

Venue

So Hirata

Marvin T Schmidt Professor of Chemistry

University of Illinois Urbana-Champaign

Affiliations

College of Liberal Arts & Sciences

School of Chemical Sciences

Department of Chemistry

So Hirata is currently serving as a College Of Liberal Arts & Sciences Marvin T Schmidt Professor of Chemistry at University of Illinois Urbana-Champaign.

Honors

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Experiences

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Education

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So Hirata

University of Illinois Urbana-Champaign

Marvin T Schmidt Professor of Chemistry

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quantum chemistry physics theoretical chemistry computational chemistry chemistry molecular structure applied physics ab-initio methods density functional theory physical chemistry many-body problem molecular modelling spectra-structure correlation applied mathematics chemical physics electronic structure spectral theory vibrational spectroscopy computational physics perturbation methods structural chemistry excited state property electronic excited states statistical mechanics condensed matter physics molecular physics scientific computing quantum mechanics chemical structure cluster science quantum science condensed matter vibronic interaction energy minimization monte carlo numerical algorithms crystal research monte carlo methods molecular chemistry solid-state physics cluster chemistry molecular science many-body quantum physics numerical mathematics molecular mechanics molecular spectroscopy monte carlo sampling theoretical inorganic chemistry numerical computation quantum dynamics statistical field theories chemical thermodynamics numerical method for partial differential equation excited states basis functions molecular solids chemical bond hydrogen bond localized excited state crystal structure design tensor contraction engine fermi resonance perturbation corrections convergence acceleration polymer modeling absorption spectroscopy tensor contractions perturbation theory liquid water coupled-cluster singles electronic structure theory mp2 energy second-order many-body perturbation extended systems monte carlo integration binary tensor contractions computer algebra mathematics

Video Presentations

Notable Scholarly Works

Notable Federal Grants

Collaborators

New Dimension in Ab Initio Electronic Structure Theory: Temperature, Pressure, and Chemical Potential. The Journal of Physical Chemistry Letters (2025)

So Hirata

physicscomputational chemistryphysical chemistryquantum chemistrycondensed matter physicscondensed mattermolecular structurequantum mechanicselectronic structurethermodynamicschemistryab-initio methodschemical potentialapplied physicschemical thermodynamicsfree energytheoretical chemistry

Performance of the Spin-Component-Scaled Methods for Energy Bands. Molecular Physics (2025)

J. César CruzErnest OpokuSzymon ŚmigaIreneusz GrabowskiJoseph Vincent OrtizSo Hirata

physicsmagnetic resonancespin phenomenonspin dynamicsspintronicsenergy bandsspintronic materialsapplied physics

Monte Carlo Explicitly Correlated Second-Order Many-Body Green’s Function Calculations of Semiconductor Band Gaps. The Journal of Physical Chemistry C (2024)

J. César CruzSo Hirata

physicselectronic materialssemiconductor materialsquantum chemistrycondensed matter physicscondensed mattermany-body problemmonte carlosemiconductor band gapssemiconductorssolid-state physicsapplied physicsquantum materialscomputational physicselectronic structure

Nonconvergence of the Feynman-Dyson Diagrammatic Perturbation Expansion of Propagators. Physical review. A/Physical review, A (2024)

So HirataIreneusz GrabowskiJ. V. OrtizRodney J. Bartlett

physicstheoretical physicscomputational mathematicsperturbation methodsparticle physicsquantum mechanicsedge renormalizationstatistical field theoriesmathematical physicsasymptotic analysisapplied mathematicsspectral theoryquantum field theoryfunction methodsquantum chromodynamicsmathematicsfunction method

Thermal Mean-Field Theories. The Journal of Chemical Physics (2024)

Pinhao GuSo Hirata

physicstheoretical physicsthermal mean-field theoriesparticle physicsstatistical physicscondensed matter physicsmany-body problemfermi–dirac theorymathematical physicsthermodynamicsquantum field theoryab-initio methodsstatistical field theoriesstatistical mechanicsapplied physicsthermal hf reference

Thermal Quasiparticle Theory. The Journal of Chemical Physics (2024)

So Hirata

physicsthermal quasiparticle theorygrand potentialentropystatistical physicsquantum chemistrycondensed matter physicscondensed mattermany-body problemmany-body quantum physicsthermodynamicsstatistical mechanicsapplied physicstheoretical chemistrythermal hf theory

Failures of the Feynman-Dyson Diagrammatic Perturbation Expansion of Propagators. arXiv (Cornell University) (2023)

Hirata, SoGrabowski, IreneuszBartlett, Rodney J.

physicstheoretical physicsodd-perturbation-order self-energyquantum mechanicsmany-body problemedge renormalizationstatistical field theoriesperturbation expansionmathematical physicsasymptotic analysisapplied mathematicsspectral theoryquantum field theoryperturbation methodsmathematics

Finite-Temperature Many-Body Perturbation Theory for Anharmonic Vibrations: Recursions, Algebraic Reduction, Second-Quantized Reduction, Diagrammatic Rules, Linked-Diagram Theorem, Finite-Temperature Self-Consistent Field, and General-Order Algorithm. The Journal of Chemical Physics (2023)

Xiuyi QinSo Hirata

physicsalgebraic reductionrenormalization diagramsquantum dynamicsstatistical physicsquantum chemistryquantum mechanicsmany-body problemmathematical physicsthermodynamicsmany-body quantum physicsspectral theoryapplied mathematicsstatistical mechanicsapplied physicsab-initio methodsperturbation corrections

Helical Organic and Inorganic Polymers. The Journal of Physical Chemistry B (2023)

So HirataYasuteru ShigetaSotiris S. XantheasRodney J. Bartlett

materials sciencecomputational chemistrypolymer modelinginfinite helical polymermolecular sciencemolecular mechanicsmolecular modellingquantum chemistrymolecular structurehelical organicdensity functional theorymolecular materialscorrelated energystructural chemistrychemistryab-initio methodsmacromolecular architecturetheoretical chemistry

General Solution to the Kohn–Luttinger Nonconvergence Problem. Chemical Physics Letters (2022)

So Hirata

calculus of variationsgeneral solutionnumerical algorithmsnumerical analysisboundary value problemsvariational analysispde-constrained optimizationpartial differential equationsapplied mathematics

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So Hirata

Marvin T Schmidt Professor of Chemistry

University of Illinois Urbana-Champaign

Affiliations

College of Liberal Arts & Sciences

School of Chemical Sciences

Department of Chemistry

So Hirata is currently serving as a College Of Liberal Arts & Sciences Marvin T Schmidt Professor of Chemistry at University of Illinois Urbana-Champaign.

Honors

Create free account to unlock more features

Experiences

Create free account to unlock more features

Education

Create free account to unlock more features

So Hirata

University of Illinois Urbana-Champaign

Marvin T Schmidt Professor of Chemistry

You can click a keyword to filter the displayed items

Video Presentations

Notable Scholarly Works

Notable Federal Grants

Collaborators

New Dimension in Ab Initio Electronic Structure Theory: Temperature, Pressure, and Chemical Potential. The Journal of Physical Chemistry Letters (2025)

So Hirata

Performance of the Spin-Component-Scaled Methods for Energy Bands. Molecular Physics (2025)

J. César CruzErnest OpokuSzymon ŚmigaIreneusz GrabowskiJoseph Vincent OrtizSo Hirata

physicsmagnetic resonancespin phenomenonspin dynamicsspintronicsenergy bandsspintronic materialsapplied physics

Monte Carlo Explicitly Correlated Second-Order Many-Body Green’s Function Calculations of Semiconductor Band Gaps. The Journal of Physical Chemistry C (2024)

J. César CruzSo Hirata

Nonconvergence of the Feynman-Dyson Diagrammatic Perturbation Expansion of Propagators. Physical review. A/Physical review, A (2024)

So HirataIreneusz GrabowskiJ. V. OrtizRodney J. Bartlett

Thermal Mean-Field Theories. The Journal of Chemical Physics (2024)

Pinhao GuSo Hirata

Thermal Quasiparticle Theory. The Journal of Chemical Physics (2024)

So Hirata

Failures of the Feynman-Dyson Diagrammatic Perturbation Expansion of Propagators. arXiv (Cornell University) (2023)

Hirata, SoGrabowski, IreneuszBartlett, Rodney J.

Xiuyi QinSo Hirata

Helical Organic and Inorganic Polymers. The Journal of Physical Chemistry B (2023)

So HirataYasuteru ShigetaSotiris S. XantheasRodney J. Bartlett

General Solution to the Kohn–Luttinger Nonconvergence Problem. Chemical Physics Letters (2022)

So Hirata

calculus of variationsgeneral solutionnumerical algorithmsnumerical analysisboundary value problemsvariational analysispde-constrained optimizationpartial differential equationsapplied mathematics

1
2
3
4
5
20
10 / page

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Similar Faculty Members

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University of Illinois Urbana-Champaign

quantum biology

quantum mechanics

Robert A. DiStasio Jr

Institution

Cornell University

theoretical chemistry

physical chemistry

Greg Ezra

Institution

Cornell University

theoretical chemistry

quantum dynamic

Roger F. Loring

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Cornell University

nonlinear science

nonlinear phenomena

Anna Krylov

Institution

University of Southern California

theoretical chemistry

quantum chemistry

Lin Lin

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University of California, Berkeley

materials science

applied physics

Richard Loomis

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materials chemistry

Tomas A. Arias

Institution

Cornell University

nano energy

nanomaterials

Král, Petr

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self-assembly

nanoparticle research

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Institution

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isolated quantum fluids

laser