Mateusz Mojsak
PhD Researcher at the University of Birmingham, working on the theory of phonon dynamics applied to the understanding of mechanochemical reactions.
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University of Birmingham - Cited by 13 - computational chemistry - solid-state physics - mechanochemistry
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ResearchGate
Mateusz MOJSAK, PhD Student | Cited by 14 | of University of Birmingham, Birmingham | Read 5 publications | Contact Mateusz MOJSAK
My Publications
Bond strengths in solids computed from a Wannier-type construction of local vibrational modes
Bond strengths in solids computed from a Wannier-type construction of local vibrational modes
Abstract page for arXiv paper 2605.08948: Bond strengths in solids computed from a Wannier-type construction of local vibrational modes
Negative Linear Compressibility of a One-dimensional Interpenetrated Metalorganic Framework
Negative Linear Compressibility of a One-dimensional Interpenetrated Metalorganic Framework
A metal-organic framework (MOF) , UoB-200, with a necklace topology that exhibits rare 1D®1D parallel interpenetration is reported. UoB-200 exhibits significant negative linear compressibility (NLC) over a pressure range up to 3.44 GPa. When pressure is ...
Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals
Local Vibrational Mode Analysis of Phonon Dispersion Relations in Crystals
We present a general framework for performing local vibrational mode analysis of vibrations in crystalline materials at arbitrary wavevectors throughout the Brillouin zone. The approach enables phonon dispersion relations to be interpreted in terms of chemically meaningful interatomic interactions and structural motifs, providing direct insight into the microscopic origins of the phonon behavior in periodic systems. We demonstrate the methodology for representative one-, two-, and three-dimensional materials including polymeric chains, graphene, and prototypical rock-salt and perovskite crystals. Across these systems, the analysis reveals how specific bonding patterns and structural features govern phonon dispersion relations. This framework provides a quantitative tool for the chemically intuitive analysis of phonon spectra and offers a pathway toward the rational design of phonon-dependent properties in crystalline materials.
Converging ab initio phonon simulations for organic molecular crystals: the effect of charge density grids and phonon dispersion sampling
Converging ab initio phonon simulations for organic molecular crystals: the effect of charge density grids and phonon dispersion sampling
Selective Gold Precipitation by a Tertiary Diamide Driven by Thermodynamic Control
Selective Gold Precipitation by a Tertiary Diamide Driven by Thermodynamic Control
The special character of bismuth has only been truly appreciated in the past 25 years. Find out more in our inorganic chemistry journal.
Mateusz Mojsak LinkedIn
Mateusz Mojsak LinkedIn
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