Debasish Koner

发表

ML Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL and PhysNet.

Anders S. Christensen, O. A. von Lilienfeld, M. Meuwly, 2020, The journal of physical chemistry. A.

State-to-State Dynamics of the Ne + HeH(+) (v = 0, j = 0) → NeH(+)(v', j') + He Reaction.

Debasish Koner, T. González-Lezana, L. Barrios, 2016, The journal of physical chemistry. A.

Quantum, Statistical, and Quasiclassical Trajectory Studies For the Ne + HeH(+) → NeH(+) + He Reaction on the Ground Electronic State.

Debasish Koner, T. González-Lezana, L. Barrios, 2015, The journal of physical chemistry. A.

Quantum dynamical study of the He + NeH+ reaction on a new analytical potential energy surface.

Debasish Koner, A. N. Panda, 2013, The journal of physical chemistry. A.

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

M. Meuwly, Silvan Käser, Debasish Koner, 2020, The journal of physical chemistry. A.

Dynamics and Infrared Spectrocopy of Monomeric and Dimeric Wild Type and Mutant Insulin.

M. Meuwly, Debasish Koner, Seyedeh Maryam Salehi, 2020, The journal of physical chemistry. B.

Non-conventional force fields for applications in spectroscopy and chemical reaction dynamics.

M. Meuwly, Debasish Koner, Seyedeh Maryam Salehi, 2020, The Journal of chemical physics.

Exhaustive state-to-state cross sections for reactive molecular collisions from importance sampling simulation and a neural network representation.

Oliver T. Unke, M. Meuwly, Debasish Koner, 2019, The Journal of chemical physics.

Long-range vs. short-range effects in cold molecular ion-neutral collisions: Charge exchange of Rb with N$_2^+$ and O$_2^+$

M. Meuwly, Debasish Koner, M. Tomza, 2019, 1906.12285.

Scattering study of the Ne + NeH(+)(v0 = 0, j0 = 0) → NeH(+) + Ne reaction on an ab initio based analytical potential energy surface.

Debasish Koner, T. González-Lezana, L. Barrios, 2016, The Journal of chemical physics.

Ab initio electronic structure investigation of protonated mixed rare gas dimers [NeHHe]+, [ArHHe]+ and [ArHNe]+

Debasish Koner, A. N. Panda, A. Vats, 2012 .

Scattering study of the Ne + H + Ne → NeH + + Ne reaction on an ab initio based global potential energy surface

Debasish Koner, T. González-Lezana, L. Barrios, 2022 .

N3 +: Full-dimensional ground state potential energy surface, vibrational energy levels, and dynamics.

M. Meuwly, Debasish Koner, E. Bieske, 2020, The Journal of chemical physics.

The C(3P) + NO(X2Π) → O(3P) + CN(X2Σ+), N(2D)/N(4S) + CO(X1Σ+) reaction: Rates, branching ratios, and final states from 15 K to 20 000 K.

M. Meuwly, Debasish Koner, R. Bemish, 2018, The Journal of chemical physics.

Long-range versus short-range effects in cold molecular ion-neutral collisions

M. Meuwly, Debasish Koner, M. Tomza, 2019, Nature Communications.

Long-range versus short-range effects in cold molecular ion-neutral collisions

M. Meuwly, Debasish Koner, M. Tomza, 2019, Nature Communications.

Probing the Diﬀerential Dynamics of Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy

M. Meuwly, Debasish Koner, J. L. Desmond, 2019 .

Rapid Molecular Evaluation of Human Kidney Tissue Sections by In Situ Mass Spectrometry and Machine Learning to Classify the Nephrotic Syndrome.

Mithlesh Prasad Singh, Shibdas Banerjee, Anubhav Kumar, 2023, Journal of proteome research.

High-dimensional potential energy surfaces for molecular simulations: from empiricism to machine learning

Oliver T. Unke, M. Meuwly, Silvan Käser, 2019, Mach. Learn. Sci. Technol..

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

M. Meuwly, Debasish Koner, 2020, Journal of chemical theory and computation.

Accurate reproducing kernel-based potential energy surfaces for the triplet ground states of N2O and dynamics for the N + NO ↔ O + N2 and N2 + O → 2N + O reactions.

M. Meuwly, Debasish Koner, R. Bemish, 2020, Physical chemistry chemical physics : PCCP.

Dynamics on Multiple Potential Energy Surfaces: Quantitative Studies of Elementary Processes Relevant to Hypersonics.

M. Meuwly, Debasish Koner, R. Bemish, 2020, The journal of physical chemistry. A.

The C($^3$P) + O$_2$($^3 \Sigma_g^-$) $\leftrightarrow$ CO$_2$ $\leftrightarrow$ CO($^1 \Sigma^+$)+ O($^1$D)/O($^3$P) Reaction: Thermal and Vibrational Relaxation Rates from 15 K to 20000 K

Juan Carlos San Vicente Veliz, M. Meuwly, Debasish Koner, 2021, 2103.06521.

The N(4S) + O2(X3Σ) ↔ O(3P) + NO(X2Π) reaction: thermal and vibrational relaxation rates for the 2A', 4A' and 2A'' states.

M. Meuwly, Debasish Koner, R. Bemish, 2019, Physical chemistry chemical physics : PCCP.

Atom–Diatom Reactive Scattering Collisions in Protonated Rare Gas Systems

Debasish Koner, T. González-Lezana, L. Barrios, 2021, Molecules.

Molecular-level understanding of the rovibrational spectra of N2O in gaseous, supercritical, and liquid SF6 and Xe.

S. Erramilli, M. Meuwly, Debasish Koner, 2023, The Journal of chemical physics.

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

M. Meuwly, Debasish Koner, 2020 .

Near dissociation states for H2+-He on MRCI and FCI potential energy surfaces.

M. Meuwly, Debasish Koner, A. van der Avoird, 2019, Physical chemistry chemical physics : PCCP.

The C(3P) + O2(3Σg−) → CO2 ↔ CO(1Σ+) + O(1D)/O(3P) reaction: thermal and vibrational relaxation rates from 15 K to 20 000 K

M. Meuwly, Debasish Koner, R. Bemish, 2021, Physical chemistry chemical physics : PCCP.

Vibrational Energy Levels and Ground State Dynamics

Debasish Koner, E. Bieske, Márkus, 2020 .

Formation and Stabilization of Ground and Excited State Singlet O2 upon Recombination of 3P Oxygen on Amorphous Solid Water.

M. Meuwly, Debasish Koner, Marco Pezzella, 2019, The journal of physical chemistry letters.

Vibrational Spectroscopy of N3- in the Gas and Condensed Phase.

M. Meuwly, Debasish Koner, Seyedeh Maryam Salehi, 2019, The journal of physical chemistry. B.

Wave packet and statistical quantum calculations for the He + NeH⁺ → HeH⁺ + Ne reaction on the ground electronic state.

Debasish Koner, T. González-Lezana, L. Barrios, 2014, The Journal of chemical physics.

Probing the Differential Dynamics of the Monomeric and Dimeric Insulin from Amide-I IR Spectroscopy.

M. Meuwly, Debasish Koner, J. L. Desmond, 2019, The journal of physical chemistry. B.

Mass Spectrometric Imaging of Anionic Phospholipids Desorbed from Human Hippocampal Sections: Discrimination between Temporal and Nontemporal Lobe Epilepsies.

Shibdas Banerjee, Debasish Koner, Supratim Mondal, 2024, ACS chemical neuroscience.

Mass Spectrometry Imaging of Lumpectomy Specimens Deciphers Diacylglycerols as Potent Biomarkers for the Diagnosis of Breast Cancer.

Shibdas Banerjee, Anubhav Kumar, Debasish Koner, 2023, Analytical chemistry.