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

A reactive, scalable, and transferable model for molecular energies from a neural network approach based on local information

(2018) Oliver T. Unke et al.   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

(2018) Debasish Koner et al.   JOURNAL OF CHEMICAL PHYSICS

Toolkit for the Construction of Reproducing Kernel-Based Representations of Data: Application to Multidimensional Potential Energy Surfaces

(2017) Oliver T. Unke et al.   Journal of Chemical Information and Modeling

Reactive collisions for NO(2Π) + N(4S) at temperatures relevant to the hypersonic flight regime

(2017) Otoniel Denis-Alpizar et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Nonequilibrium internal energy distributions during dissociation

(2017) Narendra Singh et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Ab initio-informed maximum entropy modeling of rovibrational relaxation and state-specific dissociation with application to the O2 + O system

(2016) Marat Kulakhmetov et al.   JOURNAL OF CHEMICAL PHYSICS

Atomic and molecular data for spacecraft re-entry plasmas

(2016) R Celiberto et al.   PLASMA SOURCES SCIENCE & TECHNOLOGY

Spectrum of hot methane in astronomical objects using a comprehensive computed line list

(2014) Sergei N. Yurchenko et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA