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List of works by Raimondas Galvelis

A Scalable Molecular Force Field Parameterization Method Based on Density Functional Theory and Quantum-Level Machine Learning

scientific article published on 08 August 2019

Coarse graining of force fields for metal-organic frameworks

scientific article published on 6 January 2016

Exceptionally Low Shear Modulus in a Prototypical Imidazole-Based Metal-Organic Framework

scientific article published on 29 February 2012

Flexibility and swing effect on the adsorption of energy-related gases on ZIF-8: combined experimental and simulation study

scientific article

Neural Network and Nearest Neighbor Algorithms for Enhancing Sampling of Molecular Dynamics.

scientific article published on 24 April 2017

Prediction on the existence and chemical stability of cuprous fluoride

Psi4 1.4: Open-source software for high-throughput quantum chemistry

scientific article published on 01 May 2020

Replica state exchange metadynamics for improving the convergence of free energy estimates.

scientific article published on 19 May 2015

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