Author of the publication

Reactive Monte Carlo and grand-canonical Monte Carlo simulations of the propene metathesis reaction system

, , and . The Journal of Chemical Physics, 122 (16): 164705 (April 2005)
DOI: 10.1063/1.1884108

Please choose a person to relate this publication to

To differ between persons with the same name, the academic degree and the title of an important publication will be displayed. You can also use the button next to the name to display some publications already assigned to the person.

 

Other publications of authors with the same name

Free Energy Calculation Methods and Rare Event Sampling Techniques for Biomolecular Simulations, , and . Simulating Enzyme Reactivity: Computational Methods in Enzyme Catalysis, The Royal Society of Chemistry, (2017)Management of Research Data in Computational Fluid Dynamics and Thermodynamics, , , , , and . E-Science-Tage 2019: Data to Knowledge, page 128-139. Heidelberg, HeiBOOKS, (2020)Predicting and Rationalizing the Soret Coefficient of Binary Lennard-Jones Mixtures in the Liquid State, , , and . Advanced theory and simulations, 5 (11): 2200311 (2022)PoreMS : a software tool for generating silica pore models with user-defined surface functionalisation and pore dimensions, , , , , and . Molecular simulation, 47 (4): 306-316 (2021)Calculation of binding affinities for linear alcohols to alpha-cyclodextrin by twin-system enveloping distribution sampling simulations, and . Fluid phase equilibria, (2016)Interpretation of Seemingly Contradictory Data: Low NMR S-2 Order Parameters Observed in Helices and High NMR S-2 Order Parameters in Disordered Loops of the Protein hGH at Low pH, , , and . Chemistry - a European journal, 23 (40): 9585-9591 (2017)Molecular dynamics simulation or structure refinement of proteins : are solvent molecules required? A case study using hen lysozyme, , , and . European biophysics journal, 51 (3): 265-282 (2022)Combining Molecular Dynamics and Machine Learning to Predict Self-Solvation Free Energies and Limiting Activity Coefficients, , , and . Journal of chemical information and modeling, 60 (11): 5319-5330 (2020)Free energy calculation methods and rare event sampling techniques for biomolecular simulations, , and . Simulating enzyme reactivity : Computational methods in enzyme catalysis, 9, The Royal Society of Chemistry, Cambridge, (2017)Validation of Molecular Simulation : an Overview of Issues, , , , , , and . Angewandte Chemie International Edition, 57 (4): 884-902 (2018)