BV

## 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

## Usage metrics

## Co-workers & collaborators

AL

Alexey V. Lyulin

MM

M. A. J. Michels

SR

Surajit Ray

DQ

David Quigley

MM

Mark W. Matsen

MM

Michail Mamalakis