Sonata Kvedaravičiūtė

Technical University of Denmark — Denmark

Physics and Astronomy · Physical Sciences

3h-index45citations10works3.72yr avg
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Research Topics

Spectroscopy and Quantum Chemical Studies(3), Molecular spectroscopy and chirality(3), Geological Studies and Exploration(2), Scientific Research and Philosophical Inquiry(2), Advanced Chemical Physics Studies(1)

Publications10 total

MiMiC: A high-performance framework for multiscale molecular dynamics simulations
The Journal of Chemical Physics·2024· 8 citedOpen Access
A fully-polarizable KS-DFT/AMOEBA embedding scheme for plane wave basis sets through the MiMiC framework
2024· 2 citedOpen Access
Development of polarizable embedding coupled to static and dynamic QM/MM simulations
Technical University of Denmark, DTU Orbit (Technical University of Denmark, DTU)·2024Open Access
Polarizable Embedding without Artificial Boundary Polarization
Journal of Chemical Theory and Computation·2023· 7 cited
Polarizable Embedding without Artificial Boundary Polarization
2023· 1 citedOpen Access
Dataset for the article "Polarizable Embedding without Artificial Boundary Polarization"
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Dataset for the article "Polarizable Embedding without Artificial Boundary Polarization"
Zenodo (CERN European Organization for Nuclear Research)·2023Open Access
Polarizable Embedding with Periodic Boundary Conditions
2023Open Access
Structural Features of the [C4mim][Cl] Ionic Liquid and Its Mixtures with Water: Insight from a <sup>1</sup>H NMR Experimental and QM/MD Study
The Journal of Physical Chemistry B·2021· 23 citedOpen Access
Prediction of the tautomer stability and acidity of phenacylpyridines in aqueous solution
Theoretical Chemistry Accounts·2020· 3 cited

Frequent Co-authors

Jógvan Magnus Haugaard Olsen(7), David Carrasco‐Busturia(6), Klaus B. Møller(5), Kęstutis Aidas(2), Andrej Antalík(2), Ursula Röthlisberger(2), Dovilė Lengvinaitė(1), Stasė Bielskutė(1), Vytautas Klimavičius(1), Vytautas Balevičius(1), Francesca Mocci(1), Aatto Laaksonen(1), Andrea Levy(1), Sophia K. Johnson(1), Bharath Raghavan(1), François Mouvet(1), Angela Acocella(1), Sambit Das(1), Vikram Gavini(1), Davide Mandelli(1)