Insights

Additional insights

Publications

  • C. D. Fu, Y. He, J. Pfaendtner, “Diagnosing the impact of external electric fields on toluene oxidation and pyrolysis,” J. Phys. Chem. A, 2019, 123, 3080-3089.
  • A. Prakash, C. D. Fu, M. Bonomi, J. Pfaendtner, “Biasing smarter, not harder, by partitioning collective variables into families”, J. Chem. Theor. Comput., 2018, 14, 4985-4990.
  • L. F. L. Oliveira, C. D. Fu, J. Pfaendtner, “Density functional tight-binding and infrequent metadynamics can capture entropic effects in intramolecular hydrogen transfer reactions,” J. Chem. Phys., 2018, 148, 154101.
  • C. D. Fu, J. Pfaendtner, “Lifting the curse of dimensionality on enhanced sampling of reaction networks with parallel bias metadynamics,” J. Chem. Theor. Comput., 2018, 14, 2516-2525.
  • C. D. Fu, L. F. L. Oliveira, J. Pfaendtner, “Assessing generic collective variables for determining reaction rates in metadynamics simulations,” J. Chem. Theor. Comput., 2017, 13, 968-973.
  • C. D. Fu, L. F. L. Oliveira, J. Pfaendtner, “Determining energy barriers and selectivities of a multi-pathway system with infrequent metadynamics,” J. Chem. Phys., 2017, 146, 014108.
  • C. Fort, C. D. Fu, N. A. Weichselbaum, P. M. Bardet, “Refractive index and solubility control of para-cymene solutions for index-matched fluid-structure interaction studies,” Experiments in Fluids, 2015, 56 (12), 210.