Brian Kolb
University of New Mexico(US)Massachusetts Institute of Technology(US)
Publications by Year
Research Areas
Advanced Chemical Physics Studies, Machine Learning in Materials Science, Quantum, superfluid, helium dynamics, Spectroscopy and Quantum Chemical Studies, Metal Extraction and Bioleaching
Most-Cited Works
- → Discovering charge density functionals and structure-property relationships with PROPhet: A general framework for coupling machine learning and first-principles methods(2017)117 cited
- → High-Dimensional Atomistic Neural Network Potentials for Molecule–Surface Interactions: HCl Scattering from Au(111)(2017)106 cited
- → Structural evolution of amino acid crystals under stress from a non-empirical density functional(2012)102 cited
- → Representing Global Reactive Potential Energy Surfaces Using Gaussian Processes(2017)93 cited
- → Permutation invariant potential energy surfaces for polyatomic reactions using atomistic neural networks(2016)63 cited
- → van der Waals density functional study of energetic, structural, and vibrational properties of small water clusters and iceIh(2011)50 cited
- → Ab Initio Molecular Dynamics Study of Dissociative Chemisorption and Scattering of CO2 on Ni(100): Reactivity, Energy Transfer, Steering Dynamics, and Lattice Effects(2017)45 cited
- → Experimental and Theoretical Studies on a High Pressure Monoclinic Phase of Ammonia Borane(2012)44 cited
- → Binding Interactions in Dimers of Phenalenyl and Closed-Shell Analogues(2013)40 cited
- → Communication: Energy transfer and reaction dynamics for DCl scattering on Au(111): An ab initio molecular dynamics study(2016)39 cited