Chen Qu

5PUBLICATIONS
4CO-AUTHORS
Theoretical quantum chemistryRadiation and matterStatistical mechanics in chemistry
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Publications (5)

|Feb 09, 2021
Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) level of theory.

Apurba Nandi, Chen Qu, Paul L Houston

|Dec 31, 2020
Full-dimensional, ab initio potential energy surface for glycine with characterization of stationary points and zero-point energy calculations by means of diffusion Monte Carlo and semiclassical dynamics.

Riccardo Conte, Paul L Houston, Chen Qu

|Jul 17, 2020
Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics.

Paul Houston, Riccardo Conte, Chen Qu

|Sep 01, 2019
Full and fragmented permutationally invariant polynomial potential energy surfaces for trans and cis N-methyl acetamide and isomerization saddle points.

Apurba Nandi, Chen Qu, Joel M Bowman

|Apr 15, 2019
A fragmented, permutationally invariant polynomial approach for potential energy surfaces of large molecules: Application to N-methyl acetamide.

Chen Qu, Joel M Bowman

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Frequent Collaborators

5 joint publications

Joel M Bowman

3 joint publications

Paul L Houston

3 joint publications

Riccardo Conte

1 joint publications

Apurba Nandi