544 citations · 1.2k across the 36 of their papers we have counts for
36 papers
Terahertz-to-infrared converters for imaging the human skin cancer: challenges and feasibility
Kamil Moldosanov, Alexander Bykov, Nurlanbek Kairyev +6
Purpose: The terahertz (THz) medical imaging is a promising noninvasive technique for monitoring the skin's conditions, early detection of the human skin cancer, and recovery from…
Vibrational and mechanical properties of the highly mismatched (Cd,Be)Te semiconductor alloy : Experiment and ab initio calculations
A. Elmahjoubi, M. B. Shoker, O. Pages +18
The (Cd, Be)Te semiconductor alloy that exhibits a dramatic mismatch in bond covalency and stiffness clarifying its vibrational and mechanical properties is used as a benchmark to…
Calculation of the ground-state Stark effect in small molecules using the variational quantum eigensolver
Carlos Tavares, Sofia Oliveira, Vitor Fernandes +2
As quantum computing approaches its first commercial implementations, quantum simulation emerges as a potentially ground-breaking technology for several domains, including Biology…
Theoretical mapping of interaction between alkali metal atoms adsorbed on graphene-like BC3 monolayer
Kazem Zhour, Andrei Postnikov
First-principles calculations using density functional theory and two methods in comparison, Quantum ESPRESSO and Siesta, are done on large supercells which describe different plac…
SIESTA: recent developments and applications
Alberto García, Nick Papior, Arsalan Akhtar +33
A review of the present status, recent enhancements, and applicability of the SIESTA program is presented. Since its debut in the mid-nineties, SIESTA's flexibility, efficiency and…
On the plausible nature of the size effect in heterogeneous catalysis on gold nanoparticles
Kamil Moldosanov, Andrei Postnikov
We suggest that the size effect in heterogeneous catalysis on gold nanoparticles (GNP) of ~1.3 - 9 nm size can be related to spontaneous terahertz (THz) emission of GNPs in the pro…