Zeolite Hydrolysis
Ab Initio molecular dynamics/biased dynamics simulations Zeolite hydrolysis mechanisms under realistic conditions Dynamical simulation of NMR spectra
Mean field modelling of polymers
We study hydrogels, coacervates, nanoparticles, and polymer brushes using large-timescale simulations. By combining Scheutjens-Fleer Self-Consistent Field Theory and hybrid SCF-Monte Carlo modeling, we explore their structure, dynamics, and material properties …
Quantum chemistry
Our research employs quantum chemistry and Quantum Monte Carlo (QMC) simulations to investigate electronic structures and properties of molecular systems with high accuracy. QMC methods enable us to explore complex …
DXR Raman microscope
Thermo Scientific DXR Raman microscope interfaced to an Olympus microscope equipped with the set of excitation lasers 445, 532, 633 and 780 nm used for solid state micro-samples characterization. This …
iN10 FTIR microscope
Thermo Scientific iN10 FTIR microscope equipped with dual detector system (DTGS, MCT) is used for solid state micro-samples characterization and mapping in transmission, reflection and ATR modes (Ge crystal).