Search Results - "Strunk, Timo"

Controlling doping efficiency in organic semiconductors by tuning short-range overscreening by Armleder, Jonas, Neumann, Tobias, Symalla, Franz, Strunk, Timo, Olivares Peña, Jorge Enrique, Wenzel, Wolfgang, Fediai, Artem

“…Conductivity doping has emerged as an indispensable method to overcome the inherently low conductivity of amorphous organic semiconductors, which presents a…”
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Six hydrophobins are involved in hydrophobin rodlet formation in Aspergillus nidulans and contribute to hydrophobicity of the spore surface by Grünbacher, André, Throm, Tanja, Seidel, Constanze, Gutt, Beatrice, Röhrig, Julian, Strunk, Timo, Vincze, Paul, Walheim, Stefan, Schimmel, Thomas, Wenzel, Wolfgang, Fischer, Reinhard

“…Hydrophobins are amphiphilic proteins able to self-assemble at water-air interphases and are only found in filamentous fungi. In Aspergillus nidulans two…”
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Derivatives of molecular surface area and volume: Simple and exact analytical formulas by Klenin, Konstantin V., Tristram, Frank, Strunk, Timo, Wenzel, Wolfgang

“…The computational effort of biomolecular simulations can be significantly reduced by means of implicit solvent models in which the energy generally contains a…”
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SimStack: An Intuitive Workflow Framework by Rêgo, Celso R. C., Schaarschmidt, Jörg, Schlöder, Tobias, Penaloza-Amion, Montserrat, Bag, Saientan, Neumann, Tobias, Strunk, Timo, Wenzel, Wolfgang

“…Establishing a fundamental understanding of the nature of materials via computational simulation approaches requires knowledge from different areas, including…”
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Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation by Magri, Andrea, Friederich, Pascal, Schäfer, Bernhard, Fattori, Valeria, Sun, Xiangnan, Strunk, Timo, Meded, Velimir, Hueso, Luis E, Wenzel, Wolfgang, Ruben, Mario

“…We have studied the electronic properties and the charge carrier mobility of the organic semiconductor tris(1-oxo-1H-phenalen-9-olate)aluminium(III) (Al(Op)3)…”
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Machine learning of correlated dihedral potentials for atomistic molecular force fields by Friederich, Pascal, Konrad, Manuel, Strunk, Timo, Wenzel, Wolfgang

“…Computer simulation increasingly complements experimental efforts to describe nanoscale structure formation. Molecular mechanics simulations and related…”
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37‐3: Donor‐Acceptor Alignment and Charge Separation in Small Molecule Organic Semiconductors by Fediai, Artem, Neumann, Tobias, Symalla, Franz, Strunk, Timo

“…Understanding complex molecular interactions in OLED materials such as donor‐acceptor charge transfer are crucial for device efficiency. Utilizing simulation…”
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45‐4: Late‐News Paper: On the Determination of Ionization Potentials by Symalla, Franz, Fediai, Artem, Neumann, Tobias, Strunk, Timo

“…OLED device performance is intricately linked to microscopic processes influenced by molecular properties, creating a complex interdependence. Two key material…”
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Determination of caspase-3 activation fails to predict chemosensitivity in primary acute myeloid leukemia blasts by Staib, Peter, Tiehen, Jan, Strunk, Timo, Schinköthe, Timo

“…Ex-vivo chemosensitivity tests that measure cell death induction may predict treatment outcome and, therefore, represent a powerful instrument for clinical…”
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57‐3: Using Digital Twins of OLEDs to Quantify the Impact of Molecular Properties on Device Performance for Rational Design by Neumann, Tobias, Strunk, Timo, Feidai, Artem, Symalla, Franz

“…The discovery of optimal combinations of chemicals for performant devices remains a persisting challenge in OLED technology. We present a digital twin approach…”
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Workflow Engineering in Materials Design within the BATTERY 2030+ Project by Schaarschmidt, Joerg, Yuan, Jie, Strunk, Timo, Kondov, Ivan, Huber, Sebastiaan P., Pizzi, Giovanni, Kahle, Leonid, Bölle, Felix T., Castelli, Ivano E., Vegge, Tejs, Hanke, Felix, Hickel, Tilmann, Neugebauer, Jörg, Rêgo, Celso R. C., Wenzel, Wolfgang

“…In recent years, modeling and simulation of materials have become indispensable to complement experiments in materials design. High‐throughput simulations…”
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Selective Dispersion of Single-Walled Carbon Nanotubes with Specific Chiral Indices by Poly(N-decyl-2,7-carbazole) by Lemasson, Fabien A, Strunk, Timo, Gerstel, Peter, Hennrich, Frank, Lebedkin, Sergei, Barner-Kowollik, Christopher, Wenzel, Wolfgang, Kappes, Manfred M, Mayor, Marcel

“…Physico-chemical methods to sort single-walled carbon nanotubes (SWNTs) by chiral index are presently lacking but are required for in-depth experimental…”
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Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility by Friederich, Pascal, Gómez, Verónica, Sprau, Christian, Meded, Velimir, Strunk, Timo, Jenne, Michael, Magri, Andrea, Symalla, Franz, Colsmann, Alexander, Ruben, Mario, Wenzel, Wolfgang

“…Organic semiconductors find a wide range of applications, such as in organic light emitting diodes, organic solar cells, and organic field effect transistors…”
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28‐1: Invited Paper: Bottom‐Up OLED Development by Virtual Design: Systematic Elimination of Performance Bottlenecks Using a Microscopic Simulation Approach by Neumann, Tobias, Symalla, Franz, Strunk, Timo, Feidai, Artem, Kaiser, Simon, Friederich, Pascal, Wenzel, Wolfgang

“…The gap between computational chemistry and parametric device simulations limits the potentially immense impact of computer models on OLED R&D. We present a…”
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Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy by Armleder, Jonas, Strunk, Timo, Symalla, Franz, Friederich, Pascal, Enrique Olivares Peña, Jorge, Neumann, Tobias, Wenzel, Wolfgang, Fediai, Artem

“…The ionization potential, electron affinity, and cation/anion polarization energies (IP, EA, P(+), P(−)) of organic molecules determine injection barriers,…”
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Accelerated Monte-Carlo Simulations for All-Atom Protein Folding by Wolf, Moritz, Strunk, Timo, Wenzel, Wolfgang

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Modeling and Simulation of Rodlet Assembly of Hydrophobin EAS in an All-Atom Free-Energy Forcefield by Strunk, Timo, Wenzel, Wolfgang

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Absolute Quality Assessment of Protein Models by Strunk, Timo, Wolf, Moritz, Wenzel, Wolfgang

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Multiscale Simulation of Photoluminescence Quenching in Phosphorescent OLED Materials by Symalla, Franz, Heidrich, Shahriar, Friederich, Pascal, Strunk, Timo, Neumann, Tobias, Minami, Daiki, Jeong, Daun, Wenzel, Wolfgang

“…Bimolecular exciton‐quenching processes such as triplet–triplet annihilation (TTA) and triplet–polaron quenching play a central role in phosphorescent organic…”
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43‐3: Ab‐initio Simulation of Doped Injection Layers by Symalla, Franz, Fediai, Artem, Armleder, Jonas, Kaiser, Simon, Strunk, Timo, Neumann, Tobias, Wenzel, Wolfgang

“…Optimization of doped injection layers in state‐of‐the‐art OLEDs via experimental trial&error by tuning host‐dopant combinations/concentrations is…”
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