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Potential energy surface
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keyword
Potential energy surface
RIS
0.000
(Research Intensity Score)
Papers
66
Top papers
GOAT: A Global Optimization Algorithm for Molecules and Atomic Clusters
2025 · 147 citations
Analytical ab initio hessian from a deep learning potential for transition state optimization
2024 · 32 citations
Perspective: Vibronic Coupling Potentials for Trajectory-Based Excited-State Dynamics
2025 · 5 citations
An analytical potential energy surface and variational transition-state theory kinetics of the NH3 + Br → NH2 + HBr hydrogen-abstraction reaction
2026
Duquena Core Challenge: FeMo-Cofactor Complete Reaction Mechanism
2026
Duquena Core Challenge: FeMo-Cofactor Complete Reaction Mechanism
2026
Exploring flat multi-minima potential energy surface by matrix isolation IR spectroscopy: Revisiting methanol–H2S complex
2026
Exploring Flat Multi-Minima Potential Energy Surface by Matrix Isolation IR Spectroscopy: Revisiting Methanol-H 2 S Complex
2026
Energy-Stratified Sparse Sampling and Kolmogorov-Arnold Networks for Efficient Reconstruction of Potential Energy Surfaces
2026
Newest papers
An analytical potential energy surface and variational transition-state theory kinetics of the NH3 + Br → NH2 + HBr hydrogen-abstraction reaction
2026
Duquena Core Challenge: FeMo-Cofactor Complete Reaction Mechanism
2026
Duquena Core Challenge: FeMo-Cofactor Complete Reaction Mechanism
2026
Exploring flat multi-minima potential energy surface by matrix isolation IR spectroscopy: Revisiting methanol–H2S complex
2026
Exploring Flat Multi-Minima Potential Energy Surface by Matrix Isolation IR Spectroscopy: Revisiting Methanol-H 2 S Complex
2026
Energy-Stratified Sparse Sampling and Kolmogorov-Arnold Networks for Efficient Reconstruction of Potential Energy Surfaces
2026
Foundation interatomic potentials learn the practical chemistry they were never taught
2026
Analysis of dynamics around contact regions in fusion reactions
2026
Computational perspective on structure, energetics, and bonding of FeC2O isomers with astrochemical significance
2026
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