-
Kim-Jonas Ylivainio (Luleå University of Technology)Sektionen för kondenserade materiens fysik med nanofysikPoster or contributed talk
The electron localization function (ELF) is a powerful, yet under-utilised probe of intermolecular forces. Here we establish a concise, quantitative link between the ELF value at the intermolecular saddle point, $\mathrm{ELF}_{\min}$, and the binding energy $E_{B}$ of van-der-Waals-bound dimers. Using high-level CCSD(T)/CBS data to benchmark seven density-functional approximations, we identify...
Go to contribution page -
Prof. Gh. Saleh (Saleh Research Centre)Sektionen för elementarpartikel och astropartikelfysikPoster
The ancient believed that all matter was made up of four elements: Fire, Air, Water and Earth. Over time, with the progress of science, scientists have discovered that all matter is made up of tiny particles called molecules. So, if we think well, we will see that some knowledge gradually loses its meaning.
Saleh Theory describes the structure of Electron, Proton and Neutron as the...
Go to contribution page -
Levannie Mabuti (Luleå University of Technology)Sektionen för kondenserade materiens fysik med nanofysikPoster
The electrochemical reduction of CO$_2$ into value-added products is a promising strategy for addressing energy and climate issues. The efficiency of the CO₂ reduction reaction (CO$_2$RR) largely depends on the development of effective electrocatalysts; therefore, the rational design of efficient electrocatalysts is essential. Dual-atom catalysts (DACs), an extension of single-atom catalysts...
Go to contribution page -
Muhammad Awais (Luleå University of Technology, Sweden)Sektionen för kondenserade materiens fysik med nanofysikPoster or contributed talk
Neuromorphic computing (NC) emerges as an alternative to conventional digital computing with several potentially advantageous characteristics, in particular its high energy efficiency and the exploitation of native time series organization of input data. In this poster, we discuss studies of possible materials that may be used as a substrate for the hardware implementation of memory...
Go to contribution page -
Pedro Ojeda-May (High Performance Computing Center North (HPC2N), Umeå University)Sektionen för kondenserade materiens fysik med nanofysikPoster
INTRODUCTION: The energy landscape of Shikimate Kinase (SK) was explored using different techniques, including classical and quantum mechanical (QM/MM) simulations. SK is an interesting enzyme because it is found in bacteria but not in humans, making it a good target for stopping several pathogenic diseases. SK catalyses the conversion of ATP and shikimic acid (SKM) into ADP and...
Go to contribution page -
Sandra Larsson (Luleå University of Technology)Sektionen fysik och samhällePoster or contributed talk
Electrification is a very big focus today to meet environmental goals, which means that a lot of progress is made during a relatively short time, and since building by trial and error is very ineffective, the accuracy of the digital models is incredibly important. To model and analyze the signal within the electrical wiring systems a transmission line model is used. For a long time now, the...
Go to contribution page -
Manne Segerlund (Luleå University of Technology)Sektionen för atom-, molekyl- och optisk fysikPoster
Photoacoustic imaging is a biomedical imaging technique based on the absorption and conversion of pulsed laser light into ultrasound. The ultrasound generated by short laser pulses is recorded using a 1D or 2D sensor array which, together with numerical algorithms, images the tissue under study. In quantitative photoacoustic tomography (QPAT), the photoacoustic effect is used to determine, in...
Go to contribution page -
Michael Odelius (Stockholms universitet)Sektionen för atom-, molekyl- och optisk fysikPoster
Excited state molecular dynamics simulations of the initial non-adiabatic transitions after photoexcitation of ironpentacarbonyl reveal an intricate ultra-fast dynamics. These initial events set the stage for the sequential CO release in gas phase and the opening of complex pathways in ethanol solution as previously observed experimentally in X-ray photoelectron spectroscopy and iron L-edge...
Go to contribution page -
Annika Neufischer (Luleå University of Technology)Sektionen för kondenserade materiens fysik med nanofysikPoster
The ever-increasing energy consumption of the world’s population and the looming consequence of climate change require sustainable energy production and storage. One way to store energy is electrochemical water splitting into hydrogen and oxygen [1]. In general, the oxygen evolution reaction (OER) contains the transfer of four electrons and multiple reaction steps on a catalyst before O$_2$ is...
Go to contribution page -
Vahid Fadaei Naeini (Luleå University of Technology)Sektionen för kondenserade materiens fysik med nanofysikPoster
This study investigates the tribochemical properties of glycerol and its aqueous solutions under confinement between ferrous surfaces using reactive non-equilibrium molecular dynamics (NEMD) simulations. The results demonstrate that glycerol significantly reduces friction, with the friction coefficient showing a slight dependence on water concentration. While viscosity decreases with higher...
Go to contribution page -
Yevhen LuninSektionen för elementarpartikel och astropartikelfysikPoster or contributed talk
The electric charge definition is formulated. The refined formula of the electric charge non-invariance is given. The electric charge momentum conservation law was obtained. The concept of "the charged particle spin" is clarified. The angular momentum conservation law for electric charge was obtained. The frequency moment definition (the magnetic moment analog) is formulated in gravidynamics....
Go to contribution page
Choose timezone
Your profile timezone: