Eugen Hruska

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 7

Top Topics

Molecular Dynamics

Energy Transfer

Top Venues

Physical chemistry chemical physics : PCCP

The Journal of chemical physics

Journal of chemical theory and computation

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

Publications

Xu Chen, Pinyuan Li, Eugen Hruska, Fang Liu
Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states. Physical chemistry chemical physics : PCCP (2023)
Xu Chen, Pinyuan Li, Eugen Hruska, Fang Liu
Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states. Physical chemistry chemical physics : PCCP 25 (19) (2023)
Xu Chen, Pinyuan Li, Eugen Hruska, Fang Liu
Δ-Machine learning for quantum chemistry prediction of solution-phase molecular properties at the ground and excited states. Physical chemistry chemical physics : PCCP 25 (19) (2023)
Eugen Hruska, Ariel Gale, Xiao Huang, Fang Liu
AutoSolvate: A toolkit for automating quantum chemistry design and discovery of solvated molecules. The Journal of chemical physics 156 (12) (2022)
Eugen Hruska, Ariel Gale, Fang Liu
Bridging the Experiment-Calculation Divide: Machine Learning Corrections to Redox Potential Calculations in Implicit and Explicit Solvent Models. Journal of chemical theory and computation 18 (2) (2022)
Ariel Gale, Eugen Hruska, Fang Liu
Quantum chemistry for molecules at extreme pressure on graphical processing units: Implementation of extreme-pressure polarizable continuum model. The Journal of chemical physics 154 (24) (2021)
Eugen Hruska, Jayvee R Abella, Feliks Nüske, Lydia E Kavraki, Cecilia Clementi
Quantitative comparison of adaptive sampling methods for protein dynamics. The Journal of chemical physics 149 (24) (2019)