Priyanka Pandey

Publication Activity (10 Years)

Years Active: 2024-2024
Publications (10 Years): 15

Top Topics

Liquid Chromatography

Antiplatelet Therapy

Machine Learning

Molecular Dynamics

Top Venues

The journal of physical chemistry. A

Journal of chemical theory and computation

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

Publications

Priyanka Pandey, Chen Qu, Apurba Nandi, Qi Yu, Paul L Houston, Riccardo Conte, Joel M Bowman
Ab Initio Potential Energy Surface for NaCl-H 2 with Correct Long-Range Behavior. The journal of physical chemistry. A 128 (5) (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 (2024)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials. Journal of chemical theory and computation 20 (8) (2024)
Priyanka Pandey, Chen Qu, Apurba Nandi, Qi Yu, Paul L Houston, Riccardo Conte, Joel M Bowman
Ab Initio Potential Energy Surface for NaCl-H 2 with Correct Long-Range Behavior. 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)
Priyanka Pandey, Chen Qu, Apurba Nandi, Qi Yu, Paul L Houston, Riccardo Conte, Joel M Bowman
Ab Initio Potential Energy Surface for NaCl-H 2 with Correct Long-Range Behavior. The journal of physical chemistry. A 128 (5) (2024)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials. Journal of chemical theory and computation (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)
Paul L Houston, Chen Qu, Qi Yu, Priyanka Pandey, Riccardo Conte, Apurba Nandi, Joel M Bowman
No Headache for PIPs: A PIP Potential for Aspirin Runs Much Faster and with Similar Precision Than Other Machine-Learned Potentials. Journal of chemical theory and computation 20 (8) (2024)
Priyanka Pandey, Chen Qu, Apurba Nandi, Qi Yu, Paul L Houston, Riccardo Conte, Joel M Bowman
Ab Initio Potential Energy Surface for NaCl-H 2 with Correct Long-Range Behavior. The journal of physical chemistry. A 128 (5) (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)