Quantum Chemistry Meets Machine Learning

About
Privacy
Disclaimer

Graph Chatbot

Related publications (32)

Configurable Organic Electrochemical Transistors with Printed Functional Materials for Multiplexed Sweat Analysis

Monitoring human sweat with wearable biochemical sensors could give insights into the hydration, fatigue, and health status, tracking the variations of biomarkers non-invasively and in real-time. In this field, organic electrochemical transistors (OECTs) a ...

EPFL2022

Kernel Methods and Similarity Learning Applied in Computational Chemistry

Raimon Fabregat I De Aguilar-Amat

Over the last two decades, data-powered machine learning (ML) tools have profoundly transformed numerous scientific fields. In computational chemistry, machine learning applications have permitted faster predictions of chemical properties and provided powe ...

EPFL2022

Reinforcement Learning for the occupant-centric operation of building energy systems: Theoretical and experimental investigations

Amirreza Heidari

Occupant behavior, defined as the presence and energy-related actions of occupants, is today known as a key driver of building energy use. Closing the gap between what is provided by building energy systems and what is actually needed by occupants requires ...

EPFL2022

Versatile Electroluminescence Color-Tuning Strategy of an Efficient Light-Emitting Electrochemical Cell (LEC) by an Ionic Additive

Mohammad Khaja Nazeeruddin, Narges Yaghoobi Nia

The color-tuning strategies of solid-state light-emitting devices (ss-LEDs) are mainly focused on engineering molecular structures. In this paper, for the first time, we developed a facile strategy for tuning the electroluminescence (EL) color from orange ...

AMER CHEMICAL SOC2022

Engineering and characterizing nonclassical states of light in quantum optical networks

Kilian Robert Seibold

The exploration of open quantum many-body systems -systems of microscopic size exhibiting quantum coherence and interacting with their surrounding- has emerged as a key research area over the last years. The recent advances in controlling and preserving qu ...

EPFL2022

Pixel super-resolution with spatially entangled photons

Edoardo Charbon, Jiuxuan Zhao

Pixelation is common in quantum imaging systems and limit the image spatial resolution. Here, the authors introduce a pixel super-resolution approach based on measuring the full spatially-resolved joint probability distribution of spatially-entangled photo ...

Nature Portfolio2022

Synthesis of NIR-Absorbing Squaraine Dyes and their Use in Organic Upconversion Devices

Karen Verena Strassel

Squaraines are organic dyes showing the advantages of a simple synthesis, high absorption coefficients and tunable bandgaps from the visible to the near-infrared (NIR) region. Their molecular structure is based on a polymethine chain and a donor-acceptor-d ...

EPFL2021

Luminescent, porous, metal-organic crystals: Design, synthesis, and applications

Fatmah Ebrahim

The work presented in this thesis is focused on the design and discovery of new luminescent, porous, crystalline materials for targeted applications. In particular, we focus on luminescent Metal-Organic Frameworks (MOFs) and Organic Molecules of Intrinsic ...

EPFL2020

Critical role of H-aggregation for high-efficiency photoinduced charge generation in pristine pentamethine cyanine salts

Jacques-Edouard Moser, Frank Nüesch, George Cameron Fish, Juan Manuel Moreno Naranjo

The mechanism of photoinduced symmetry-breaking charge separation in solid cyanine salts at the base of organic photovoltaic and optoelectronic devices is still debated. Here, we employ femtosecond transient absorption spectroscopy (TAS) to monitor the cha ...

2021

Defect incorporation in In-containing layers and quantum wells: experimental analysis via deep level profiling and optical spectroscopy

Jean-François Carlin, Nicolas Grandjean, Mauro Mosca, Camille Haller

Recent studies demonstrated that the performance of InGaN/GaN quantum well (QW) light emitting diodes (LEDs) can be significantly improved through the insertion of an InGaN underlayer (UL). The current working hypothesis is that the presence of the UL redu ...

IOP PUBLISHING LTD2021

Enhanced Room-Temperature Photoluminescence Quantum Yield in Morphology Controlled J-Aggregates

Frank Nüesch, Surendra Babu Anantharaman, Jakob Heier

Supramolecular assemblies from organic dyes forming J-aggregates are known to exhibit narrowband photoluminescence with full-width at half maximum of approximate to 9 nm (260 cm(-1)). Applications of these high color purity emitters, however, are hampered ...

2021

Ligand Locking on Quantum Dot Surfaces via a Mild Reactive Surface Treatment

Aurélien Bornet, Raffaella Buonsanti, Anna Loiudice, Ona Segura Lecina

At the outermost surface of colloidal QDs are organic surface ligands which dynamically bind and release in solution to control the growth kinetics, control the size/shape of the crystals, passivate surface states, and provide colloidal stability through f ...

2021

Page 2 of 2