Quantum Chemistry Research Repository

Access in-depth studies on molecular simulations, electronic structure theories, and quantum computational advancements

Research Articles

Towards Exact Molecular Dynamics Simulations with Machine-Learned Force Fields

Exploring how machine-learned force fields are revolutionizing molecular dynamics simulations by bridging the gap between accuracy and computational efficiency.

Michael Long
Oct 24, 2025

Machine Learning Force Fields: Recent Advances and Remaining Challenges

Exploring how machine learning force fields are revolutionizing molecular simulation by combining quantum accuracy with computational efficiency

Julian Foster
Oct 10, 2025

Towards Exact Molecular Dynamics Simulations with Invariant Machine-Learned Models

Exploring how invariant machine-learned models are revolutionizing molecular dynamics simulations, providing unprecedented accuracy in atomic-level modeling.

Abigail Russell
Oct 10, 2025

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