Tim Kowalczyk

12PUBLICATIONS
55CO-AUTHORS
Condensed matter modelling and density functional theoryElectrical circuits and systemsComputational chemistryOrganometallic chemistryElectrical energy generation (incl. renewables, excl. photovoltaics)
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Publications (12)

|Aug 31, 2026
Self-Consistent Incorporation of Generalized Born Model into RCI-LC-DFTB for Photoinduced Charge-Separated States.

|Dec 13, 2025
A Restriction-Based Configuration Interaction Approach Based on LC-DFTB: An Efficient Method for Field-Induced Charge Transfer in Molecular Systems.

Ji Huang, Tim Kowalczyk, Yoshio Nishimoto

|Jun 06, 2025
Recent Developments in DFTB+, a Software Package for Efficient Atomistic Quantum Mechanical Simulations.

B Hourahine, M Berdakin, J A Bich

|Feb 19, 2025
Intermolecular N-N Coupling of a Dinitrosyl Iron Complex Induced by Hydrogen Bond Donors in the Secondary Coordination Sphere.

Kayla M Fugami, Gabriel S Black, Tim Kowalczyk

|May 09, 2024
Simulation of interlayer coupling for electroactive covalent organic framework design.

Tanner M Leo, Megan Robbins, Alana Sullivan

|Sep 05, 2023
Sequential Deoxygenation of CO2 and NO2- via Redox-Control of a Pyridinediimine Ligand with a Hemilabile Phosphine.

Hanalei R Lewine, Allison G Teigen, April M Trausch

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Frequent Collaborators

3 joint publications

John D Gilbertson

3 joint publications

Stephan Irle

2 joint publications

B Hourahine

2 joint publications

B Aradi