3 papers
cond-mat.soft2025
Modeling adsorption processes on the core-shell-like polymer structures: star and comb topologies
V. Blavatska, Ja. Ilnytskyi, E. Lähderanta
Coagulation-flocculation of pollutants and chelation of heavy metal ions are two widely used techniques in wastewater purification. Despite the differences between their respective…
cond-mat.dis-nn2025
Instant prediction of relaxation in moiré superlattices using neural networks
Aleksei V. Belonovskii, Elizaveta I. Girshova, Erkki Lähderanta +1
The relaxation of moiré superlattices in twisted bilayers of transition metal dichalcogenides (TMDs) has been modeled using a set of neural-network-based approaches. We implemented…
cond-mat.soft2025
Chelation of the mercury ions by polyethyleneimine: Atomistic molecular dynamics study
Halyna Butovych, Jaroslav Ilnytskyi, Erkki Lahderanta +1
Contamination of water by heavy metal ions represents a significant environmental concern. Among various remediation methods, chelation has proven to be an effective technique in w…