Debasish Koner

activity

20192022

most citedN

_{3}^{+}

: Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics

7 citations · 12 across the 3 of their papers we have counts for

collaborators

14 papers

physics.chem-ph2022★ 5 cited

Photodissociation dynamics of N $_{3}^{+}$

Sarbani Patra, Juan Carlos San Vicente Veliz, Debasish Koner +2

The photodissociation dynamics of N $_{3}^{+}$ excited from its $^{3} Σ_{g}^{-}$ ground to the first excited singlet and triplet states is investigated. Three dimensional potential en…

physics.chem-ph2021

The C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO $_{2}$ $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

Juan Carlos San Vicente Veliz, Debasish Koner, Max Schwilk +2

Thermal rates for the C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) reaction are investigated over a wide temperature range based on quasi classica…

physics.chem-ph2020

ML Models of Vibrating H $_{2}$ CO: Comparing Reproducing Kernels, FCHL and PhysNet

Silvan Käser, Debasish Koner, Anders S. Christensen +2

Machine Learning (ML) has become a promising tool for improving the quality of atomistic simulations. Using formaldehyde as a benchmark system for intramolecular interactions, a co…

physics.chem-ph2020

Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions

Julian Arnold, Debasish Koner, Silvan Käser +3

Machine learning-based models to predict product state distributions from a distribution of reactant conditions for atom-diatom collisions are presented and quantitatively tested.…

physics.chem-ph2020

Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone

Debasish Koner, Markus Meuwly

Constructing accurate, high dimensional molecular potential energy surfaces (PESs) for polyatomic molecules is challenging. Reproducing Kernel Hilbert space (RKHS) interpolation is…

physics.chem-ph2020★ 7 cited

N $_{3}^{+}$ : Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics

Debasish Koner, Max Schwilk, Sarbani Patra +2

The fundamentals and higher vibrationally excited states for the N $_{3}^{+}$ ion in its electronic ground state have been determined from quantum bound state calculations on 3-dimensio…

Photodissociation dynamics of N3+​

The C(3P) + O2​(3Σg−​) ↔ CO2​ ↔ CO(1Σ+)+ O(1D)/O(3P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

ML Models of Vibrating H2​CO: Comparing Reproducing Kernels, FCHL and PhysNet

Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions

Permutationally Invariant, Reproducing Kernel-Based Potential Energy Surfaces for Polyatomic Molecules: From Formaldehyde to Acetone

N3+​: Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics

Photodissociation dynamics of N $_{3}^{+}$

The C( $^{3}$ P) + O $_{2}$ ( $^{3} Σ_{g}^{-}$ ) $\leftrightarrow$ CO $_{2}$ $\leftrightarrow$ CO( $^{1} Σ^{+}$ )+ O( $^{1}$ D)/O( $^{3}$ P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

ML Models of Vibrating H $_{2}$ CO: Comparing Reproducing Kernels, FCHL and PhysNet

N $_{3}^{+}$ : Full-Dimensional Potential Energy Surface, Vibrational Energy Levels and Ground State Dynamics