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Chemical Science
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June 24, 2021
Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations
Jingbai Li, Patrick Reiser, Benjamin R Boswell, et al.
Digital Discovery
|
June 30, 2025
PAL - parallel active learning for machine-learned potentials
Chen Zhou, Marlen Neubert, Yuri Koide, et al.
Journal of Chemical Theory and Computation
|
May 26, 2021
Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy
Jonas Armleder, Timo Strunk, Franz Symalla, et al.
ACS Nano
|
April 28, 2020
From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
Loïc M Roch, Semion K Saikin, Florian Häse, et al.
Chemical Science
|
December 6, 2019
Design rules for high mobility xanthene-based hole transport materials
Daniel P Tabor, Valerie A Chiykowski, Pascal Friederich, et al.
ACS Applied Materials & Interfaces
|
November 9, 2020
Optical and Electrical Measurements Reveal the Orientation Mechanism of Homoleptic Iridium-Carbene Complexes
Markus Schmid, Kristoffer Harms, Carl Degitz, et al.
Beilstein Journal of Nanotechnology
|
July 15, 2015
Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation
Andrea Magri, Pascal Friederich, Bernhard Schäfer, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 19, 2016
Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing
Tessy Theres Baby, Manuel Rommel, Falk von Seggern, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
October 10, 2017
Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility
Pascal Friederich, Verónica Gómez, Christian Sprau, et al.
ACS Nano
|
July 1, 2016
Superexchange Charge Transport in Loaded Metal Organic Frameworks
Tobias Neumann, Jianxi Liu, Tobias Wächter, et al.
Page
of 6
Search research articles
Search
Showing results (31-40 of 52) with videos related to
Sort By:
Page
of 6
Chemical Science
|
June 24, 2021
Automatic discovery of photoisomerization mechanisms with nanosecond machine learning photodynamics simulations
Jingbai Li, Patrick Reiser, Benjamin R Boswell, et al.
Digital Discovery
|
June 30, 2025
PAL - parallel active learning for machine-learned potentials
Chen Zhou, Marlen Neubert, Yuri Koide, et al.
Journal of Chemical Theory and Computation
|
May 26, 2021
Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy
Jonas Armleder, Timo Strunk, Franz Symalla, et al.
ACS Nano
|
April 28, 2020
From Absorption Spectra to Charge Transfer in Nanoaggregates of Oligomers with Machine Learning
Loïc M Roch, Semion K Saikin, Florian Häse, et al.
Chemical Science
|
December 6, 2019
Design rules for high mobility xanthene-based hole transport materials
Daniel P Tabor, Valerie A Chiykowski, Pascal Friederich, et al.
ACS Applied Materials & Interfaces
|
November 9, 2020
Optical and Electrical Measurements Reveal the Orientation Mechanism of Homoleptic Iridium-Carbene Complexes
Markus Schmid, Kristoffer Harms, Carl Degitz, et al.
Beilstein Journal of Nanotechnology
|
July 15, 2015
Charge carrier mobility and electronic properties of Al(Op)3: impact of excimer formation
Andrea Magri, Pascal Friederich, Bernhard Schäfer, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
November 19, 2016
Sub-50 nm Channel Vertical Field-Effect Transistors using Conventional Ink-Jet Printing
Tessy Theres Baby, Manuel Rommel, Falk von Seggern, et al.
Advanced Materials (Deerfield Beach, Fla.)
|
October 10, 2017
Rational In Silico Design of an Organic Semiconductor with Improved Electron Mobility
Pascal Friederich, Verónica Gómez, Christian Sprau, et al.
ACS Nano
|
July 1, 2016
Superexchange Charge Transport in Loaded Metal Organic Frameworks
Tobias Neumann, Jianxi Liu, Tobias Wächter, et al.
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of 6