Development New Computational Techniques
Green’s Function Reaction Dynamics (GFRD)
- T.R. Sokolowski, J. Paijmans, L. Bossen, T. Miedema, M. Wehrens, N.B. Becker, K. Kaizu, K. Takahashi, M. Dogterom and P.R. ten Wolde, eGFRD in all dimensions, J. Chem. Phys. 150, 5: 054108: 1-24 (2019)
- A. Vijaykumar, T.E. Ouldridge, P.R. ten Wolde and P.G. Bolhuis, Multiscale simulations of anisotropic particles combining molecular dynamics and Green’s function reaction dynamics, J. Chem. Phys. 146, 11, Article number: 114106: 1-12 (2017)
- A. Vijaykumar, P.G. Bolhuis and P.R. ten Wolde, Combining molecular dynamics with mesoscopic Green’s function reaction dynamics simulations, J. Chem. Phys. 143, 21, Article number: 214102: 1-12 (2015)
- K. Takahashi, S. Tanase-Nicola and P.R. ten Wolde, Spatio-temporal correlations can drastically change the response of a MAPK pathway, PNAS 107, 6: 2473-2478 (2010)
- J.S. van Zon and P.R. ten Wolde, Simulating biochemical networks at the particle level and in time and space: Green’s function reaction dynamics, Phys.Rev.Lett. 94, Article number: 128103: 1-4 (2005)
Forward Flux Sampling (FFS)
- S. Hussain and A. Haji-Akbari, Studying rare events using forward flux sampling: Recent breakthroughs and future outlook, J. Chem. Phys. 152, 060901 (2020) (article from the Haji-Akbari group with an excellent overview of FFS applications)
- Y. Li and P.R. ten Wolde, Shape Transformations of Vesicles Induced by Swim Pressure, Phys.Rev.Lett. 123, 14: 148003: 1-6 (2019)
- N.B. Becker, R.J. Allen and P.R. ten Wolde, Non-Stationary Forward Flux Sampling, J. Chem. Phys. 136, Article number: 174118: 1-18 (2012)
- R.J. Allen, C. Valeriani and P.R. ten Wolde, Forward flux sampling for rare event simulations, J. Phys.: Condens. Matter 21, Article number: 463102: 1-21 (2009)
- R.J. Allen, P.B. Warren and P.R. ten Wolde, Sampling rare switching events in biochemical networks, Phys.Rev.Lett. 94, Article number: 18104: 1-4 (2005)