Dr Bart Vorselaars. Theoretical physicist, University of Lincoln
Publications
Refereed journal publications
M. Mamalakis, A. Banerjee, S. Ray, C. Wilkie, R. H. Clayton, A. J. Swift, G. Panoutsos, B. Vorselaars, Deep multi-metric training: the need of multi-metric curve evaluation to avoid weak learning, Neural Comp. Appl., (2024) pdf, doi, link
A. Winter, B. Vorselaars, M. Esposito, A. Badiee, T. Price, P. P. Allport and N. Allinson, OPTIma: simplifying calorimetry for proton computed tomography in high proton flux environments, Phys. Med. Biol., (2024) pdf, doi, link
B. Vorselaars, Efficient Langevin and Monte Carlo sampling algorithms: the case of field-theoretic simulations, J. Chem. Phys., 158, 114117 (2023) pdf, doi, link
S. Ray, A. Banerjee, A. Swift, J. W. Fanstone, M. Mamalakis, B. Vorselaars, C. Wilkie, J. Cole, L. S. Mackenzie, S. Week, A robust COVID-19 mortality prediction calculator based on Lymphocyte count, Urea, C-Reactive Protein, Age and Sex (LUCAS) with chest X-rays, Sci. Rep., 12, 18220 (2022) pdf, doi, link
A.N. Boss, A. Banerjee, M. Mamalakis, S. Ray, A. J. Swift, C. Wilkie, J. W. Fanstone, B. Vorselaars, J. Cole, S. Weeks, L. S. Mackenzie, Development of a Mortality Prediction Model in Hospitalised SARS-CoV-2 Positive Patients Based on Routine
Kidney Biomarkers, Int. J. Mol. Sci., 23, 7260 (2022) pdf, doi, link
M. Mamalakis, A.J. Swift, B. Vorselaars, S. Ray, S. Weeks, W. Ding, R.H. Clayton, L.S. Mackenzie, A. Banerjee, DenResCov-19: A deep transfer learning network for robust automatic classification of COVID-19, pneumonia, and tuberculosis from X-rays, Comput. Med. Imaging Graph., 94, 102008 (2021) pdf, doi, link
B. Vorselaars, R.K.W. Spencer, M.W. Matsen, Instability of the microemulsion channel in block copolymer-homopolymer blends, Phys. Rev. Lett., 125, 117801 (2020) pdf, doi, link
A. Banerjee, S. Ray, B. Vorselaars, J. Kitson, M. Mamalakis, S. Weeks, M. Baker, L. S. Mackenzie, Use of Machine Learning and Artificial Intelligence to predict SARS-CoV-2 infection from Full Blood Counts in a population, I. Immunopharmacology, 86, 106705 (2020) pdf, doi, link
N.E.R. Zimmermann, B. Vorselaars, J.R. Espinosa, D. Quigley, W.R. Smith, E. Sanz, C. Vega, B. Peters, NaCl nucleation from brine in seeded simulations: sources of uncertainty in rate estimates, J. Chem. Physics, 148, 222838 (2018) pdf, doi
R.K.W. Spencer, B. Vorselaars, M.W. Matsen, Continuous Thermodynamic Integration in Field-Theoretic Simulations of Structured Polymers, Macromol. Theory Simul., 26, 1700036 (2017) pdf, doi, featured
M. Ambler, B. Vorselaars, M. Allen, D. Quigley, Solid-liquid interfacial free energy of ice Ih, ice Ic and ice 0 within a mono-atomic model of water via the capillary wave method, J. Chem. Phys., 146, 074701 (2017) pdf, doi, link
Y. Lifanov, B. Vorselaars, D. Quigley, Nucleation Barrier Reconstruction via the Seeding Method in a Lattice Model with Competing Nucleation Pathways, J. Chem. Phys., 145, 211912 (2016) pdf, doi, link
B. Vorselaars, P. Stasiak, M.W. Matsen, Field-theoretic simulation of block copolymers at experimentally-relevant molecular weights, Macromolecules, 48, 9071-9080 (2015) pdf, doi
N. Zimmermann, B. Vorselaars, D. Quigley, B. Peters, Nucleation of NaCl from aqueous solution: critical sizes, ion-attachment kinetics, and rates, J. Am. Chem. Soc., 137, 13352-13361 (2015) pdf, doi, link
B. Vorselaars, A unified approach to computation of solid and liquid free energy to revisit the solid-fluid equilibrium of Lennard-Jones chains, J. Chem. Phys., 142, 114115, (2015) pdf, doi, link
A.E. Likhtman, M.S. Talib, B. Vorselaars, J. Ramirez, Determination of tube theory parameters using a simple grid model as an example, Macromolecules, 46, 1187-1200, (2013) pdf, preprint, doi
B. Vorselaars, J.U. Kim, T.L. Chantawansri, G.H. Fredrickson, M.W. Matsen, Self-consistent field theory for diblock copolymers grafted to a sphere, Soft Matter, 7, 5128-5137, (2011) pdf, doi, hot article, cover
G.H. Griffiths, B. Vorselaars, M.W. Matsen, Diblock-copolymer brushes grafted to spherical particles, Macromolecules, 44, 3649-3655, (2011) pdf, doi
J. Ramirez, S. Sukumaran, B. Vorselaars, A.E. Likhtman, Efficient on the fly calculation of time correlation functions in computer simulations, J. Chem. Phys., 133, 154103-1-12, (2010) pdf, doi, top 20 downloads, simple C++ code for the multiple tau correlator and LAMMPS implementation
B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Microscopic Mechanisms of Strain Hardening in Glassy Polymers, Macromolecules, 42, issue 15, 5829-5842, (2009) pdf, doi
B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Deforming glassy polystyrene: influence of pressure, thermal history and deformation mode on yielding and hardening, J. Chem. Phys., 130, 074905-1-14, (2009) and Virtual J. Biological Physics Research, 17, issue 5, (2009) pdf, doi
T. Mulder, V.A. Harmandaris, A.V. Lyulin, N.F.A. van der Vegt, B. Vorselaars, M.A.J. Michels, Equilibration and deformation of amorphous polystrene: scale-jumping simulational approach, Macromol. Theor. Simul., 17, 290-300, (2008) pdf, doi
B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Development of heterogeneity near the glass transition: phenyl-ring-flip motions in polystyrene, Macromolecules, 40, 6001-6011, (2007) pdf, doi, thesis
B. Vorselaars, A.V. Lyulin, K. Karatasos, M.A.J. Michels, Non-Gaussian nature of glassy dynamics by cage to cage motion, Phys. Rev. E, 75, 01154-1-6, (2007) and Virtual J. Biological Physics Research, 13, issue 3, (2007) pdf, doi
A.V. Lyulin, J. Li, T. Mulder, B. Vorselaars, M.A.J. Michels, Atomistic simulation of bulk mechanics and local dynamics of amorphous polymers, Macromol. Symp., 237, 108-118, (2006) pdf, doi
J. Li, T. Mulder, B. Vorselaars, A.V. Lyulin, M.A.J. Michels, Monte Carlo simulation of uniaxial tension of an amorphous polyethylene-like polymer glass, Macromolecules, 39, 7774-7782, (2006) pdf, doi
A.V. Lyulin, B. Vorselaars, M.A. Mazo, N.K. Balabaev, M.A.J. Michels, Strain softening and hardening of amorphous polymers: atomistic simulation of bulk mechanics and local dynamics, Europhysics Letters, 71, 618-624, (2005) pdf, doi
A.D. Staicu, B. Vorselaars, W. van de Water, Turbulence anisotropy and the SO(3) description, Phys. Rev. E,68(4), 046303-1-12, (2003) , pdf, doi
Non-refereed proceedings and other publications
B. Vorselaars, S. Ruzicka, D. Quigley, M.P. Allen, Folding kinetics of a polymer (corr), Phys. Chem. Chem. Phys.19, 5674 (2017) pdf, doi, link (preprint on 19 (48), 21101, (2013) and arXiv:1611.00386)
A.V. Lyulin, B. Vorselaars, M.A.J. Michels, Molecular-dynamics simulation of amorphous polymers in the isotropic state and under uniaxial deformation, in Proceedings of the CIMTEC conference; Editors: P. Vincenzini and A. Lami, Sicily, Italy, 743-750, (2004) pdf
Reports
B. Vorselaars, Universality of anisotropic turbulence, R-1601-S, Technische Universiteit Eindhoven, Eindhoven, The Netherlands (2003)
B. Vorselaars, Disturbing the mixing layer of a round yet by independent piezo actuators, R-1558-S, Technische Universiteit Eindhoven, Eindhoven, The Netherlands (2001)
B. Vorselaars, A collisional radiative model for neon in neon-mercury fluorescent lamps, VDF/NT 00-07, Technische Universiteit Eindhoven, Eindhoven, The Netherlands (2000)
PhD thesis
Bart Vorselaars, Local dynamics and deformation of glass-forming polymers: modelling and atomistic simulations, Technische Universiteit Eindhoven, Eindhoven, The Netherlands (2008) pdf, doi, link
orcid.org/0000-0001-5881-2341