Ivo Neefjes

Publication Activity (10 Years)

Years Active: 2022-2023
Publications (10 Years): 5

Top Topics

Molecular Dynamics

Nitric Oxide Synthase

Top Venues

The journal of physical chemistry. A

The Journal of chemical physics

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

Publications

Jakub Kubečka, Ivo Neefjes, Vitus Besel, Fukang Qiao, Hong-Bin Xie, Jonas Elm
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. The journal of physical chemistry. A 127 (9) (2023)
Roope Halonen, Ivo Neefjes, Bernhard Reischl
Further cautionary tales on thermostatting in molecular dynamics: Energy equipartitioning and non-equilibrium processes in gas-phase simulations. The Journal of chemical physics 158 (19) (2023)
Jakub Kubečka, Ivo Neefjes, Vitus Besel, Fukang Qiao, Hong-Bin Xie, Jonas Elm
Atmospheric Sulfuric Acid-Multi-Base New Particle Formation Revealed through Quantum Chemistry Enhanced by Machine Learning. The journal of physical chemistry. A (2023)
Jakub Kubečka, Vitus Besel, Ivo Neefjes, Yosef Knattrup, Theo Kurtén, Hanna Vehkamäki, Jonas Elm
Computational Tools for Handling Molecular Clusters: Configurational Sampling, Storage, Analysis, and Machine Learning. ACS omega 8 (47) (2023)
Sandra K W Fomete, Jack S Johnson, Nanna Myllys, Ivo Neefjes, Bernhard Reischl, Coty N Jen
Ion-Molecule Rate Constants for Reactions of Sulfuric Acid with Acetate and Nitrate Ions. The journal of physical chemistry. A 126 (44) (2022)