Hans Lischka

51PUBLICATIONS

185CO-AUTHORS

Theoretical quantum chemistryTheory and design of materialsElectrochemical energy storage and conversionPolymerisation mechanismsQuantum computation

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Publications (51)

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|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

|Sep 24, 2025

Acetylene-Linked Phenalenyl Oligomers as a Creative Source of Extended Polyradical Character.

Jhonatas R Carvalho, Reed Nieman, Adelia J A Aquino

|Jul 08, 2025

COLUMBUS─An Efficient and General Program Package for Ground and Excited State Computations Including Spin-Orbit Couplings and Dynamics.

Felix Plasser, Hans Lischka, Ron Shepard

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Frequent Collaborators

36 joint publications

Adélia J A Aquino

15 joint publications

Francisco B C Machado

12 joint publications

Reed Nieman

10 joint publications

Felix Plasser

Mario Barbatti

Dana Nachtigallova

Julio C V Chagas

Max Pinheiro

Luiz F A Ferrão