Extending and validating bubble nucleation rate predictions in a Lennard-Jones fluid with enhanced sampling methods and transition state theory
Source
The journal of chemical physics - ISSN 0021-9606-157:18 (2022) p. 1-10
Nucleation rates from small scale atomistic simulations and transition state theory
Source
The journal of chemical physics - ISSN 0021-9606-155:14 (2021) p.
Reweighted Jarzynski sampling : acceleration of rare events and free energy calculation with a bias potential learned from nonequilibrium work
Source
Journal of chemical theory and computation - ISSN 1549-9618-17:11 (2021) p. 6766-6774
Quantifying the impact of vibrational nonequilibrium in plasma catalysis : insights from a molecular dynamics model of dissociative chemisorption
Source
Journal of physics: D: applied physics - ISSN 0022-3727-54:39 (2021) p.
Reaction mechanisms of C(³P(J)) and C+(²P(J)) with benzene in the interstellar medium from quantum mechanical molecular dynamics simulations
Source
Physical chemistry, chemical physics - ISSN 1463-9076-23:7 (2021) p. 4205-4216