Simulation of Energy Materials from Atomistic to Continuum Scales
31 May 2023
B - Materials for energy conversion systems: fundamentals, designs, and applications
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B2_05
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16:30
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18:30
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Simulation of Energy Materials from Atomistic to Continuum Scales
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Dresde (1st floor)
B - Materials for energy conversion systems: fundamentals, designs, and applications
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494
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Novel concept for an optimal solar cell based on self-assembling organic molecules
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S.
Stefan
KRANER (Konstanz)
16:30
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456
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„Interplay of domain structure, phase transitions and functional responses in ferroelectric BaTiO3"
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A.
Anna
GRÜNEBOHM (Bochum)
17:00
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847
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Ferroelectric 90° domain wall migration and free energy in BaTiO3 via molecular dynamics simulations
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H.
Hikaru
AZUMA (Nukata-Gun)
17:15
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557
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Dislocation effects on the inversion of ferroelectric polarization in BaTiO3 using a graph neural network potential
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G.
Genki
DEGUCHI (Nagoya, Aichi)
17:30
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714
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A phase-field model for ferroelectrics with defects configured by molecular dynamics
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D.
Dilshod
DURDIEV (Fuerth)
17:45
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1179
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Hot carriers in metal halide perovskites: the cold background effect
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T.
Tim
FABER (Beetsterzwaag)
18:00
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1070
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Using Molecular Dynamics simulations as a tool to better understand reactive multilayers
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F.
Fabian
SCHWARZ (Zürich)
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