Chen Qu

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2018-2024
Publications (10 Years): 18

Top Venues

The journal of physical chemistry. A

The Journal of chemical physics

The journal of physical chemistry letters

Journal of chemical theory and computation

University of Maryland

Emory University (PHD)

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Maryland Feb 27 2019

United States

Postdoc :: Department of Chemistry & Biochemistry

Emory University May 30 2017 - Feb 17 2019

United States

Postdoc :: Department of Chemistry

Education History

Emory University Aug 24 2011 - May 08 2017

United States

PHD :: Department of Chemistry

Publications

Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman
A New A Priori Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation. The journal of physical chemistry. A (2024)
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, Chen Qu, Riccardo Conte, Joel M Bowman, Sai G Ramesh
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H 3 O 2 . The journal of physical chemistry. A 128 (16) (2024)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman, Stephen G Kukolich
Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer. Journal of chemical theory and computation 20 (5) (2024)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman, Stephen G Kukolich
Formic Acid-Ammonia Heterodimer: A New Δ-Machine Learning CCSD(T)-Level Potential Energy Surface Allows Investigation of the Double Proton Transfer. Journal of chemical theory and computation (2024)
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, Chen Qu, Riccardo Conte, Joel M Bowman, Sai G Ramesh
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H 3 O 2 . The journal of physical chemistry. A 128 (16) (2024)
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, Chen Qu, Riccardo Conte, Joel M Bowman, Sai G Ramesh
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H 3 O 2 . The journal of physical chemistry. A 128 (16) (2024)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman
A New A Priori Method to Avoid Calculation of Negligible Hamiltonian Matrix Elements in CI Calculation. The journal of physical chemistry. A 128 (2) (2024)
Priyanka Pandey, Mrinal Arandhara, Paul L Houston, Chen Qu, Riccardo Conte, Joel M Bowman, Sai G Ramesh
Assessing Permutationally Invariant Polynomial and Symmetric Gradient Domain Machine Learning Potential Energy Surfaces for H 3 O 2 . The journal of physical chemistry. A (2024)
Paul L Houston, Chen Qu, Qi Yu, Riccardo Conte, Apurba Nandi, Jeffrey K Li, Joel M Bowman
PESPIP: Software to fit complex molecular and many-body potential energy surfaces with permutationally invariant polynomials. The Journal of chemical physics 158 (4) (2023)
Qi Yu, Chen Qu, Paul L Houston, Apurba Nandi, Priyanka Pandey, Riccardo Conte, Joel M Bowman
A Status Report on "Gold Standard" Machine-Learned Potentials for Water. The journal of physical chemistry letters (2023)
Qi Yu, Chen Qu, Paul L Houston, Riccardo Conte, Apurba Nandi, Joel M Bowman
q-AQUA: A Many-Body CCSD(T) Water Potential, Including Four-Body Interactions, Demonstrates the Quantum Nature of Water from Clusters to the Liquid Phase. The journal of physical chemistry letters 13 (22) (2022)
Joel M Bowman, Chen Qu, Riccardo Conte, Apurba Nandi, Paul L Houston, Qi Yu
The MD17 datasets from the perspective of datasets for gas-phase "small" molecule potentials. The Journal of chemical physics 156 (24) (2022)
Tomoyuki Endo, Simon P Neville, Vincent Wanie, Samuel Beaulieu, Chen Qu, Jude Deschamps, Philippe Lassonde, Bruno E Schmidt, Hikaru Fujise, Mizuho Fushitani, Akiyoshi Hishikawa, Paul L Houston, Joel M Bowman, Michael S Schuurman, François Légaré, Heide Ibrahim
Capturing roaming molecular fragments in real time. Science (New York, N.Y.) 370 (6520) (2021)
Apurba Nandi, Chen Qu, Paul L Houston, Riccardo Conte, Qi Yu, Joel M Bowman
A CCSD(T)-Based 4-Body Potential for Water. The journal of physical chemistry letters 12 (42) (2021)
Riccardo Conte, Paul L Houston, Chen Qu, Jeffrey Li, Joel M Bowman
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. The Journal of chemical physics 153 (24) (2021)
Apurba Nandi, Chen Qu, Paul L Houston, Riccardo Conte, Joel M Bowman
Δ-machine learning for potential energy surfaces: A PIP approach to bring a DFT-based PES to CCSD(T) level of theory. The Journal of chemical physics 154 (5) (2021)
Paul L Houston, Riccardo Conte, Chen Qu, Joel M Bowman
Permutationally invariant polynomial potential energy surfaces for tropolone and H and D atom tunneling dynamics. The Journal of chemical physics 153 (2) (2020)
Chen Qu, Joel M Bowman
An ab initio potential energy surface for the formic acid dimer: zero-point energy, selected anharmonic fundamental energies, and ground-state tunneling splitting calculated in relaxed 1-4-mode subspaces. Physical chemistry chemical physics : PCCP 18 (36) (2018)

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Publication Activity (10 Years)

Top Topics

Top Venues

Chen Qu