Faculty

Institution

Unit

Venue

Tim Kowalczyk

Assistant Professor of Physical & Computational Chemistry

Western Washington University

Affiliations

College of Science and Engineering

Chemistry

Department Of Chemistry

Chemistry, Institute for Energy Studies

College of the Environment

Studies Of Institute For Energy

Departments Of Chemistry And Science, Math, And Technology Education (Smate)

Western Washington University

Tim Kowalczyk is currently serving as a Chemistry Assistant Professor of Physical & Computational Chemistry at Western Washington University.

Honors

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Experiences

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Education

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Tim Kowalczyk

Western Washington University

Assistant Professor of Physical & Computational Chemistry

You can click a keyword to filter the displayed items

chemistry quantum chemistry materials science density functional theory chemical engineering physical chemistry molecular structure computational chemistry organic chemistry chemical structure structural chemistry molecular engineering applied physics theoretical chemistry material chemistry crystal engineering covalent bonded framework molecular modelling organic material chemistry chemical sciences organic chemistry frontier transition metal chemistry chemical physics molecular crystals molecular science molecule-based materials excited state property electronic excited states crystal structures software package organic process research energy chemistry redox biology interface science coordination chemistry ab-initio methods organic electronics organic electrochemistry charge transport redox chemistry localized excited state inorganic compounds water splitting organic charge-transfer compound atomistic simulations excited states chemical bond molecular chemistry spectra-structure correlation vibronic interaction many-body problem molecular kinetics quantum biology combinatorial chemistry theoretical inorganic chemistry polycyclic aromatic hydrocarbons heme transport heme homeostasis proton transfer heme degradation fullerenes organic-inorganic hybrid materials perovskite solar cells molecular quantum chemistry natural transition orbitals q-chem 4 exchange-correlation functionals q-chem software q-chem 5 molecular dynamics reaction barriers diabatic picture electronic excitations organic dyes antiaromatic porphyrins excitation energies self assembly key degradation pathways simulation framework

Notable Scholarly Works

Notable Federal Grants

Collaborators

Self-Consistent Incorporation of Generalized Born Model Into Rci-Lc-Dftb for Photoinduced Charge-Separated States. ChemRxiv (2026)

chemistrydensity functional theorymolecular structurequantum chemistryphotochemistrycharge separation

A Restriction-Based Configuration Interaction Approach Based on Lc-Dftb: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems. Journal of Chemical Theory and Computation (2025)

biophysicsefficient methodfield-induced charge transferchemistrydensity functional theorymolecular systemsmolecular sciencemolecular structuremolecular communicationquantum chemistrymolecular modelsorganic charge-transfer compoundsupramolecular chemistrycomputational chemistrycharge separationmolecular modelling

Intermolecular N–N Coupling of a Dinitrosyl Iron Complex Induced by Hydrogen Bond Donors in the Secondary Coordination Sphere. Journal of the American Chemical Society (2025)

inorganic compoundschemistryhydrogen bond donorsinorganic chemistrymolecular structuremolecular complexessecondary coordination spherechemical structurecoordination chemistrymolecular biologytransition metal chemistryintermolecular n–n coupling

Recent Developments in Dftb+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations. The Journal of Physical Chemistry A (2025)

quantum simulationquantum scienceapplied mathematicsdensity functional theoryatomic physicsquantum chemistrysoftware packagerecent developmentsapplied physicsphysicscomputational physicschemical physicscomputational chemistrymolecular modellingab-initio methodsquantum mechanics

Simulation of Interlayer Coupling for Electroactive Covalent Organic Framework Design. The Journal of Chemical Physics (2024)

molecular electronicsinterface (matter)covalent bonded frameworkchemistrysmart materialsorganic electrochemistrymaterial chemistryinterface sciencematerials sciencemolecular engineeringpolymer scienceorganic material chemistrycomposite interfacechemical engineeringorganic electronics

A Collaboration to Create Functional Frameworks From Multiple Components. Angewandte Chemie International Edition (2023)

design researchsoftware designsystems engineeringdesignsystem softwarecomponent-based software engineeringsoftware frameworksarchitectural designcomputer-supported cooperative workcreate functional frameworkssystem sciencedesign frameworksdesign automationdesign theory

Building Blocks and Cofs Formed in Concert—Three‐Component Synthesis of Pyrene‐Fused Azaacene Covalent Organic Framework in the Bulk and as Films. Angewandte Chemie International Edition (2023)

organic process researchorganic coatingchemical sciencesmaterials sciencemolecular engineeringstructural chemistrycrystal engineeringmolecular crystalschemical synthesisorganic chemistrypolymer chemistrycovalent bonded frameworkchemistryorganic-inorganic hybrid materialsmolecule-based materialsorganic synthesispolymer sciencebuilding blocksorganic material chemistrychemical engineering

Ccdc 2259878: Experimental Crystal Structure Determination. The Cambridge Structural Database (2023)

chemistrycrystal engineeringcrystal researchcrystallographycrystal structuresccdc 2259878structure elucidationstructure determinationchemical structurestructural chemistry

Electronic Transition Dipole Moments From Time-Independent Excited-State Density-Functional Tight-Binding. The Journal of Chemical Physics (2023)

density functional theoryatomic physicsquantum chemistrycondensed matter physicscondensed matterapplied physicselectronic excited statesexcited state propertyphysicslocalized excited statequantum materials

Sequential Deoxygenation of Co 2 and No 2 – via Redox-Control of a Pyridinediimine Ligand With a Hemilabile Phosphine. Inorganic Chemistry (2023)

inorganic compoundsredox chemistrychemistrysequential deoxygenationhemilabile phosphineinorganic chemistrypyridinediimine ligandorganometallic chemistryredox biologychemical sciencesbiochemistrydeoxygenationchemical structurecoordination chemistrytransition metal chemistry

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Tim Kowalczyk

Assistant Professor of Physical & Computational Chemistry

Western Washington University

Affiliations

College of Science and Engineering

Chemistry

Department Of Chemistry

Chemistry, Institute for Energy Studies

College of the Environment

Studies Of Institute For Energy

Departments Of Chemistry And Science, Math, And Technology Education (Smate)

Western Washington University

Tim Kowalczyk is currently serving as a Chemistry Assistant Professor of Physical & Computational Chemistry at Western Washington 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

Tim Kowalczyk

Western Washington University

Assistant Professor of Physical & Computational Chemistry

You can click a keyword to filter the displayed items

Notable Scholarly Works

Notable Federal Grants

Collaborators

Self-Consistent Incorporation of Generalized Born Model Into Rci-Lc-Dftb for Photoinduced Charge-Separated States. ChemRxiv (2026)

chemistrydensity functional theorymolecular structurequantum chemistryphotochemistrycharge separation

Intermolecular N–N Coupling of a Dinitrosyl Iron Complex Induced by Hydrogen Bond Donors in the Secondary Coordination Sphere. Journal of the American Chemical Society (2025)

Recent Developments in Dftb+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations. The Journal of Physical Chemistry A (2025)

Simulation of Interlayer Coupling for Electroactive Covalent Organic Framework Design. The Journal of Chemical Physics (2024)

A Collaboration to Create Functional Frameworks From Multiple Components. Angewandte Chemie International Edition (2023)

Ccdc 2259878: Experimental Crystal Structure Determination. The Cambridge Structural Database (2023)

chemistrycrystal engineeringcrystal researchcrystallographycrystal structuresccdc 2259878structure elucidationstructure determinationchemical structurestructural chemistry

Electronic Transition Dipole Moments From Time-Independent Excited-State Density-Functional Tight-Binding. The Journal of Chemical Physics (2023)

Sequential Deoxygenation of Co 2 and No 2 – via Redox-Control of a Pyridinediimine Ligand With a Hemilabile Phosphine. Inorganic Chemistry (2023)

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3
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5
10 / page