Machine learning software to learn negligible elements of the Hamiltonian matrix
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Chen Qu↗
Engineering topics
Paul L. Houston
Publications and source records attributed to Paul L. Houston.
Semiclassical and VSCF/VCI Calculations of the Vibrational Energies of trans - and gauche -Ethanol Using a CCSD(T) Potential Energy Surface
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Riccardo Conte↗
Targeted Transferable Machine-Learned Potential for Linear Alkanes Trained on C 14 H 30 and Tested for C 4 H 10 to C 30 H 62
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Chen Qu↗
A Δ-machine learning approach for force fields, illustrated by a CCSD(T) 4-body correction to the MB-pol water potential
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Chen Qu↗
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H 3 O 2 –
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Priyanka Pandey↗
Ab Initio Potential Energy Surface for NaCl–H 2 with Correct Long-Range Behavior
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Priyanka Pandey↗
Correction: A Δ-machine learning approach for force fields, illustrated by a CCSD(T) 4-body correction to the MB-pol water potential
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Chen Qu↗