Theresa Windus

Iowa State University

United States

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Articles (10)

Year:

2022

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2022

Year:

2022

Year:

2021

Year:

2021

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2021

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2021

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2021

Year:

2021

Year:

2020

Collaborators (11)

Devin Matthews

Assistant Professor

Southern Methodist University

UNITED STATES

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Jonathan Foley

Associate Professor

University of North Carolina at Charlotte

UNITED STATES

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Fang Liu

Assistant Professor

Emory University

UNITED STATES

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James Evans

Professor

Iowa State University

UNITED STATES

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Eduard Valeyev

Professor

Virginia Tech

UNITED STATES

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Asem Alenaizan

SAUDI ARABIA

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Aaron Sadow

Professor

Iowa State University

UNITED STATES

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Rollin King

Professor

UNITED STATES

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Ashley Ringer McDonald

California Polytechnic State University

UNITED STATES

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Patricia Thiel

Professor

Iowa State University

UNITED STATES

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Raymond Bair

Chief Computational Scientist for Applications

Argonne National Laboratory

UNITED STATES

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Theresa Windus

Research Interests

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Contact this professor

Articles (10)

Reversible Ligand Protonation in Noninnocent Constrained-Geometry-Like Group 4 Complexes

Modeling of linear nanopores in a-SiO2 tuning pore surface structure

Rxn Rover: Automation of chemical reactions with user-friendly, modular software

Quantum chemistry common driver and databases (qcdb) and quantum chemistry engine (qce ngine): Automation and interoperability among computational chemistry programs

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

Enhanced Nanostructure Dynamics on Au(111) with Adsorbed Sulfur due to Au−S Complex Formation

From NWChem to NWChemEx: Evolving with the Computational Chemistry Landscape

Achieving performance portability in Gaussian basis set density functional theory on accelerator based architectures in NWChemEx

Projector-Based Quantum Embedding for Molecular Systems: An Investigation of Three Partitioning Approaches

Building capacity for undergraduate education and training in computational molecular science: A collaboration between the MERCURY consortium and the Molecular Sciences Software Institute

Collaborators (11)

Devin Matthews

Jonathan Foley

Fang Liu

James Evans

Eduard Valeyev

Asem Alenaizan

Aaron Sadow

Rollin King

Ashley Ringer McDonald

Patricia Thiel

Raymond Bair

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