Bart Vorselaars

Publications

• A unified approach to computation of solid and liquid free energy to revisit the solid-fluid equilibrium of Lennard-Jones chains
• NaCl nucleation from brine in seeded simulations: Sources of uncertainty in rate estimates
• Development of a Mortality Prediction Model in Hospitalised SARS-CoV-2 Positive Patients Based on Routine Kidney Biomarkers
• Efficient Langevin and Monte Carlo sampling algorithms: The case of field-theoretic simulations
• Efficient on the fly calculation of time correlation functions in computer simulations
• Monte Carlo simulation of uniaxial tension of an amorphous polyethylene-like polymer glass
• Atomistic simulation of bulk mechanics and local dynamics of amorphous polymers
• Determination of tube theory parameters using a simple grid model as an example
• Self-consistent field theory for diblock copolymers grafted to a sphere
• Unit-cell approximation for diblock-copolymer brushes grafted to spherical particles
• Microscopic mechanisms of strain hardening in glassy polymers
• Deforming glassy polystyrene: Influence of pressure, thermal history, and deformation mode on yielding and hardening
• Equilibration and deformation of amorphous polystyrene: Scale-jumping simulational approach
• Development of heterogeneity near the glass transition: Phenyl-ring-flip motions in polystyrene
• Non-Gaussian nature of glassy dynamics by cage to cage motion
• Strain softening and hardening of amorphous polymers: Atomistic simulation of bulk mechanics and local dynamics
• Turbulence anisotropy and the SO(3) description
• Nucleation of NaCl from Aqueous Solution: Critical Sizes, Ion-Attachment Kinetics, and Rates
• Field-Theoretic Simulation of Block Copolymers at Experimentally Relevant Molecular Weights
• Nucleation barrier reconstruction via the seeding method in a lattice model with competing nucleation pathways
• 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
• Continuous Thermodynamic Integration in Field‐Theoretic Simulations of Structured Polymers
• Instability of the Microemulsion Channel in Block Copolymer-Homopolymer Blends
• OPTIma: simplifying calorimetry for proton computed tomography in high proton flux environments
• A robust COVID-19 mortality prediction calculator based on Lymphocyte count, Urea, C-Reactive Protein, Age and Sex (LUCAS) with chest X-rays
• DenResCov-19: A deep transfer learning network for robust automatic classification of COVID-19, pneumonia, and tuberculosis from X-rays
• Use of Machine Learning and Artificial Intelligence to predict SARS-CoV-2 infection from Full Blood Counts in a population
• Folding kinetics of a polymer
• Deep multi-metric training: the need of multi-metric curve evaluation to avoid weak learning