Reeve, S. T., & Strachan, A. (2017). Error correction in multi-fidelity molecular dynamics simulations using functional uncertainty quantification. Journal of Computational Physics334, 207-220.

Reeve, S. T., & Strachan, A. (2019). Functional uncertainty quantification for isobaric molecular dynamics simulations and defect formation energies. Modelling and Simulation in Materials Science and Engineering27(4), 044002.


Onofrio, N., & Strachan, A. (2015). Voltage equilibration for reactive atomistic simulations of electrochemical processes. The Journal of chemical physics143(5), 054109.

Onofrio, N., Guzman, D., & Strachan, A. (2016). Atomistic simulations of electrochemical metallization cells: mechanisms of ultra-fast resistance switching in nanoscale devices. Nanoscale8(29), 14037-14047.


Antillon, E., & Strachan, A. (2015). Mesoscale simulations of shockwave energy dissipation via chemical reactions. The Journal of Chemical Physics142(8), 084108.

Antillon, E., Banlusan, K., & Strachan, A. (2014). Coarse grain model for coupled thermo-mechano-chemical processes and its application to pressure-induced endothermic chemical reactions. Modelling and Simulation in Materials Science and Engineering22(2), 025027.