Publication

Diabatic free energy curves and coordination fluctuations for the aqueous Ag(+)Ag(2+) redox couple: A biased Born-Oppenheimer molecular dynamics investigation

Publications associées (28)

High-order geometric integrators for the variational Gaussian wavepacket dynamics and application to vibronic spectra at finite temperature

Molecular quantum dynamics simulations are essential for understanding many fundamental phenomena in physics and chemistry. They often require solving the time-dependent Schrödinger equation for molecular nuclei, which is challenging even for medium-sized ...

EPFL2024

A diversity-driven discovery of potential nanoporous materials for energy-related applications

Sauradeep Majumdar

The design and discovery of potential novel materials is critical for the advancement of climate change mitigation technologies. In this respect, metal-organic frameworks (MOFs) have received considerable attention over the last two decades. The combinatio ...

EPFL2024

Data-Driven Control Synthesis using Koopman Operator: A Robust Approach

Alireza Karimi, Mert Eyuboglu, Nathan Russell Powell

This paper proposes a data-driven control design method for nonlinear systems that builds upon the Koopman operator framework. In particular, the Koopman operator is used to lift the nonlinear dynamics to a higher-dimensional space where the so-called obse ...

2024

The Influence of the Planetary Boundary Layer on the Atmospheric State at an Orographic Site at the Eastern Mediterranean

Athanasios Nenes, Romanos Foskinis, Kunfeng Gao

We studied the influence of the Planetary Boundary Layer (PBL) on the air masses sampled at the mountaintop Hellenic Atmospheric Aerosol and Climate Change station ((HAC) 2 ) at Mount Helmos (Greece) during the Cloud-AerosoL InteractionS in the Helmos back ...

Stockholm Univ Press2024

Operando Observation of (Bi)carbonate Precipitation during Electrochemical CO2 Reduction in Strongly Acidic Electrolytes

Corsin Battaglia, Alessandro Senocrate, Nukorn Plainpan

Precipitation of (bi)carbonate salts during the electrochemical CO2 reduction (CO2RR) has been identified as a major cause of degradation and one of the main challenges to be overcome before implementing this technology on the industrial scale. Recently, t ...

Amer Chemical Soc2024

High-throughput parallel testing of ten photoelectrochemical cells for water splitting: case study on the effects of temperature in hematite photoanodes

Sophia Haussener, Isaac Thomas Holmes-Gentle, Roberto Valenza, Franky Esteban Bedoya Lora

High-throughput testing of photoelectrochemical cells and materials under well-defined operating conditions can accelerate the discovery of new semiconducting materials, the characterization of the phenomena occurring at the semiconductor-electrolyte inter ...

Royal Soc Chemistry2024

Investigation of microbial community dynamics in soil during variable hydrological forcing

Simiao Wang

Climate change is expected to alter the temporal distribution of precipitation events, leading to prolonged drought periods and an increased frequency of extreme precipitation events. Changes in precipitation pattern will directly affect soil moisture dyna ...

EPFL2024

Tailoring nanocatalysts and reaction interfaces for water- and CO2-electrolysis

Thi Ha My Pham

Renewable energy sources offer a promising solution for mitigating sustainability and CO2 emissions-related issues due to their vast energy generation capacity. They enable hydrogen production via water electrolysis, as well as carbon capture and utilizati ...

EPFL2024