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Publications by Roland Lindh

The Matter Simulation (R)evolution

ACS Central Science

Chemical Engineering

English

How Machine Learning Can Assist the Interpretation of Ab Initio Molecular Dynamics Simulations and Conceptual Understanding of Chemistry

Chemical Science

English

Automation of Active Space Selection for Multireference Methods via Machine Learning on Chemical Bond Dissociation

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Dynamic Electron Correlation Effects on the Ground State Potential Energy Surface of a Retinal Chromophore Model

Journal of Chemical Theory and Computation

Theoretical Chemistry

Computer Science Applications

English

Molecular Basis of the Chemiluminescence Mechanism of Luminol

Chemistry - A European Journal

Organic Chemistry

English

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

English

Restricted-Variance Molecular Geometry Optimization Based on Gradient-Enhanced Kriging

English

Local Properties of Quantum Chemical Systems: The LoProp Approach

Journal of Chemical Physics

Theoretical Chemistry

English