CPP 40: Organic Electronics and Photovoltaics 3
Donnerstag, 8. September 2022, 15:00–17:45, H38
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15:00 |
CPP 40.1 |
Hauptvortrag:
Computational Design of Organic Semiconductors — •Harald Oberhofer
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15:30 |
CPP 40.2 |
Reorganization energies of flexible organic molecules as a challenging target for machine learning enhanced virtual screening — •Ke Chen, Christian Kunkel, Karsten Reuter, and Johannes T. Margraf
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15:45 |
CPP 40.3 |
Protonation-Induced Charge Transfer and Polaron Formation in Organic Semiconductors Doped by Lewis Acids — •Fabian Bauch, Chuan-Ding Dong, and Stefan Schumacher
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16:00 |
CPP 40.4 |
Adsorption layers of diketopyrrolopyrrole acceptor blocks on graphite: Self-assembly and structure in all-atom modelling — Moufdi Hadjab and •Olga Guskova
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16:15 |
CPP 40.5 |
Understanding Phonon Properties and the Thermal Conductivity of Crystalline Polymers — •Lukas Reicht, Lukas Legenstein, Tomas Kamencek, Sandro Wieser, and Egbert Zojer
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16:30 |
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15 min. break
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16:45 |
CPP 40.6 |
The contribution has been withdrawn.
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17:00 |
CPP 40.7 |
Singlet Fission search in polyacene molecules in gas-phase and on rare-gas clusters using ab initio methods — •Selmane Ferchane, Alexander Eisfeld, and Michael Walter
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17:15 |
CPP 40.8 |
Materials design based on theoretical characterization: Improving open-shell organic molecules for electronic applications — •Sebastian Schellhammer and Frank Ortmann
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17:30 |
CPP 40.9 |
Simulation organic semiconductors with tensor network techniques — •Sam Mardazad, Yihe Xu, Xuexiao Xang, Martin Grundner, Ulrich Schollwöck, Haibo Ma, and Sebastian Paeckel
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