Jiří Kolafa

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2023
Publications (10 Years): 8

Top Topics

High Resolution

Molecular Dynamics

Machine Learning

Perovskite Solar Cells

Top Venues

The journal of physical chemistry. B

Journal of chemical theory and computation

This page only lists publications with an associated author ORCID identifier.

Publications

György Hantal, Martin Klíma, Louisa McFegan, Jiří Kolafa, Pál Jedlovszky
Does the Sign of Charge Affect the Surface Affinity of Simple Ions? The journal of physical chemistry. B (2023)
György Hantal, Jiří Kolafa, Marcello Sega, Pál Jedlovszky
Single-Particle Dynamics at the Intrinsic Surface of Aqueous Alkali Halide Solutions. The journal of physical chemistry. B 125 (2) (2021)
David Celný, Martin Klíma, Jiří Kolafa
Molecular Dynamics of Heterogeneous Systems on GPUs and Their Application to Nucleation in Gas Expanding to a Vacuum. Journal of chemical theory and computation (2021)
György Hantal, Réka A Horváth, Jiří Kolafa, Marcello Sega, Pál Jedlovszky
Surface Affinity of Alkali and Halide Ions in Their Aqueous Solution: Insight from Intrinsic Density Analysis. The journal of physical chemistry. B 124 (44) (2020)
Jiří Kolafa
Pressure in Molecular Simulations with Scaled Charges. 1. Ionic Systems. The journal of physical chemistry. B 124 (34) (2020)
Josef Melcr, Hector Martinez-Seara, Ricky Nencini, Jiří Kolafa, Pavel Jungwirth, O H Samuli Ollila
Accurate Binding of Sodium and Calcium to a POPC Bilayer by Effective Inclusion of Electronic Polarization. The journal of physical chemistry. B 122 (16) (2018)
Martin Klíma, Jiří Kolafa
Direct Molecular Dynamics Simulation of Nucleation during Supersonic Expansion of Gas to a Vacuum. Journal of chemical theory and computation 14 (5) (2018)
Jiří Kolafa
Free Energy of Classical Molecular Crystals by Thermodynamic Integration from a Harmonic Reference. Journal of chemical theory and computation 15 (1) (2018)