Lista de obras -

A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

artículo científico publicado en 2019

Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation

artículo científico publicado en 2014

Ab initio modeling of steady-state and time-dependent charge transport in hole-only α-NPD devices

artículo científico publicado en 2016

Analyzing Dynamical Disorder for Charge Transport in Organic Semiconductors via Machine Learning

artículo científico publicado en 2021

Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films.

artículo científico publicado en 2017

Charge Transport by Superexchange in Molecular Host-Guest Systems.

artículo científico publicado en 2016

Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation

artículo científico publicado en 2015

Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy

artículo científico publicado en 2021

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction

artículo científico publicado en 2019

Design rules for high mobility xanthene-based hole transport materials

scientific article published on 25 July 2019

Disorder compensation controls doping efficiency in organic semiconductors

artículo científico publicado en 2019

Experimental and theoretical study of phase separation in ZnPc:C60 blends

Fast Generation of Machine Learning-Based Force Fields for Adsorption Energies

artículo científico publicado en 2021

Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors

artículo científico publicado en 2015

Host dependence of the electron affinity of molecular dopants

Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

scholarly article published 27 November 2019

Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex

scientific article published on 07 April 2020

Machine learning of correlated dihedral potentials for atomistic molecular force fields

artículo científico publicado en 2018

Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs

scientific article published on 04 September 2018

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors

artículo científico publicado en 2016

Optical and Electrical Measurements Reveal the Orientation Mechanism of Homoleptic Iridium-Carbene Complexes

artículo científico publicado en 2020

QM/QM approach to model energy disorder in amorphous organic semiconductors

artículo científico publicado en 2015

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

artículo científico publicado en 2017

Scientific intuition inspired by machine learning generated hypotheses ⬇️

artículo científico publicado en 2020

Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing.

artículo científico publicado en 2016

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins

artículo científico publicado en 2024

Superexchange Charge Transport in Loaded Metal Organic Frameworks

artículo científico publicado en 2016

The Influence of Sorbitol Doping on Aggregation and Electronic Properties of PEDOT:PSS: A Theoretical Study

Toward Design of Novel Materials for Organic Electronics

scientific article published on 22 April 2019

Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers

artículo científico publicado en 2016

Lista de obras de

A Molecular Computing Approach to Solving Optimization Problems via Programmable Microdroplet Arrays

Ab Initio Treatment of Disorder Effects in Amorphous Organic Materials: Toward Parameter Free Materials Simulation

Ab initio modeling of steady-state and time-dependent charge transport in hole-only α-NPD devices

Analyzing Dynamical Disorder for Charge Transport in Organic Semiconductors via Machine Learning

Built-In Potentials Induced by Molecular Order in Amorphous Organic Thin Films.

Charge Transport by Superexchange in Molecular Host-Guest Systems.

Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation

Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy

Concentration dependent energy levels shifts in donor-acceptor mixtures due to intermolecular electrostatic interaction

Design rules for high mobility xanthene-based hole transport materials

Disorder compensation controls doping efficiency in organic semiconductors

Experimental and theoretical study of phase separation in ZnPc:C60 blends

Fast Generation of Machine Learning-Based Force Fields for Adsorption Energies

Generalized effective-medium model for the carrier mobility in amorphous organic semiconductors

Host dependence of the electron affinity of molecular dopants

Influence of Meso and Nanoscale Structure on the Properties of Highly Efficient Small Molecule Solar Cells

Machine Learning Reactivity in the Chemical Space Surrounding Vaska's Complex

Machine learning dihydrogen activation in the chemical space surrounding Vaska's complex

Machine learning of correlated dihedral potentials for atomistic molecular force fields

Meltdown! Local Heating by Decaying Excited Host Positive Polarons Triggers Aggregation Quenching in Blue PhOLEDs

Molecular Origin of the Charge Carrier Mobility in Small Molecule Organic Semiconductors

Optical and Electrical Measurements Reveal the Orientation Mechanism of Homoleptic Iridium-Carbene Complexes

QM/QM approach to model energy disorder in amorphous organic semiconductors

Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility

Scientific intuition inspired by machine learning generated hypotheses ⬇️

Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing.

Substituting density functional theory in reaction barrier calculations for hydrogen atom transfer in proteins

Superexchange Charge Transport in Loaded Metal Organic Frameworks

The Influence of Sorbitol Doping on Aggregation and Electronic Properties of PEDOT:PSS: A Theoretical Study

Toward Design of Novel Materials for Organic Electronics

Ultrarobust Thin-Film Devices from Self-Assembled Metal-Terpyridine Oligomers

p-Doping of polystyrene polymers with attached functional side-groups from solution