Hans Lischka

53PUBLICATIONS
190CO-AUTHORS
Condensed matter modelling and density functional theoryTheoretical quantum chemistryTheory and design of materialsElectrochemical energy storage and conversionPolymerisation mechanisms
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Publications (53)

|Oct 12, 2026
On the role of high-lying correlated triplet pair states for singlet fission in TIPS-pentacene.

|Sep 24, 2026
A data-efficient machine-learning approach for modeling the photodynamics of all-trans hexatriene based on multireference configuration interaction calculations.

|Jun 16, 2026
The Newton-X platform for mixed quantum-classical dynamics.

|Jun 05, 2026
Ionic modulation of the charge transfer transitions in host-guest complexes of carbon nanorings and fullerenes.

|May 04, 2026
Low-Lying Excited States of Linear All-Trans Polyenes: Insights from Analytic Gradient and Nonadiabatic Coupling Calculations Based on Multireference Configuration Interaction.

|Feb 09, 2026
Tuning Heptazine-Based g‑C3N4 Structures for Photocatalysis by Enhancing Chemical Stability and Electron-Hole Pair Separation: A Computational Study.

Leticia C S Faria, Aditya N Raju, Julio C V Chagas

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Frequent Collaborators

36 joint publications

Adélia J A Aquino

16 joint publications

Francisco B C Machado

12 joint publications

Reed Nieman

10 joint publications

Felix Plasser