Jiří Pittner

8PUBLICATIONS
61CO-AUTHORS
Theoretical quantum chemistryComputational methods in fluid flow, heat and mass transfer (incl. computational fluid dynamics)Nanoelectromechanical systemsQuantum computationOrdinary differential equations, difference equations and dynamical systems
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Publications (8)

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

|Feb 18, 2026
Flexible Framework for Surface Hopping: From Hybrid Schemes for Machine Learning to Benchmarkable Nonadiabatic Dynamics.

Jakub Martinka, Mikołaj Martyka, Biman Medhi

|Nov 03, 2025
A Descriptor Is All You Need: Accurate Machine Learning of Nonadiabatic Coupling Vectors.

Jakub Martinka, Lina Zhang, Yi-Fan Hou

|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

|Nov 01, 2024
A simple approach to rotationally invariant machine learning of a vector quantity.

Jakub Martinka, Marek Pederzoli, Mario Barbatti

|Oct 09, 2024
DMRG-Tailored Coupled Cluster Method in the 4c-Relativistic Domain: General Implementation and Application to the NUHFI and NUF<sub>3</sub> Molecules.

Jakub Višňák, Jan Brandejs, Mihály Máté

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Frequent Collaborators

4 joint publications

Pavlo O Dral

4 joint publications

Mario Barbatti

3 joint publications

Jakub Martinka

2 joint publications

Jan Brandejs