314 results on '"Shen, Vincent K."'
Search Results
2. Flat-Histogram Monte Carlo Simulation of Water Adsorption in Metal–Organic Frameworks
3. Modulus-Pressure Equation for Confined Fluids
4. Leveraging uncertainty estimates and derivative information in Gaussian process regression for efficient collection and use of molecular simulation data.
5. Relation Between Pore Size and the Compressibility of a Confined Fluid
6. Computational Study of Trimer Self-Assembly and Fluid Phase Behavior
7. Programming Interfacial Porosity and Symmetry with Escherized Colloids.
8. Chemometric outlier classification of 2D-NMR spectra to enable higher order structure characterization of protein therapeutics
9. Role of Domain–Domain Interactions on the Self-Association and Physical Stability of Monoclonal Antibodies: Effect of pH and Salt
10. Derivable genetic programming for two-dimensional colloidal materials.
11. Systematic control of collective variables learned from variational autoencoders.
12. Evaluating the Effects of Hinge Flexibility on the Solution Structure of Antibodies at Concentrated Conditions
13. Impact of surface roughness on diffusion of confined fluids
14. Generalized Rosenfeld scalings for tracer diffusivities in not-so-simple fluids: Mixtures and soft particles
15. Composition and concentration anomalies for structure and dynamics of Gaussian-core mixtures
16. Available states and available space: Static properties that predict dynamics of confined fluids
17. The ninth industrial fluid properties simulation challenge
18. Cofinement, entropy, and single-particle dynamics of equilibrium hard-sphere mixtures
19. Energy Landscape and Isotropic Tensile Strength of n-Alkane Glasses
20. Molecular dynamics simulation of trimer self-assembly under shear
21. Using symmetry to elucidate the importance of stoichiometry in colloidal crystal assembly
22. Building Interpretable Machine Learning Models to Identify Chemometric Trends in Seabirds of the North Pacific Ocean
23. Temperature Extrapolation of Henry’s Law Constants and the Isosteric Heat of Adsorption
24. Relationship between pore-size distribution and flexibility of adsorbent materials: statistical mechanics and future material characterization techniques
25. Extrapolation and interpolation strategies for efficiently estimating structural observables as a function of temperature and density.
26. Learning Efficient, Collective Monte Carlo Moves with Variational Autoencoders
27. Improving the efficiency of Monte Carlo simulations of ions using expanded grand canonical ensembles.
28. Comments on “Monte Carlo simulations for water adsorption in porous materials: Best practices and new insights”
29. Seabird Tissue Archival and Monitoring Project (STAMP) Data from 1999-2010
30. On the virial expansion of model adsorptive systems
31. On the virial coefficients of confined fluids: Analytic expressions for the thermodynamic properties of hard particles with attractions in slit and cylindrical pores to second order.
32. A methodology to calculate small-angle scattering profiles of macromolecular solutions from molecular simulations in the grand-canonical ensemble.
33. Predicting structural properties of fluids by thermodynamic extrapolation.
34. Multivariable extrapolation of grand canonical free energy landscapes.
35. Communication: Predicting virial coefficients and alchemical transformations by extrapolating Mayer-sampling Monte Carlo simulations.
36. Temperature extrapolation of multicomponent grand canonical free energy landscapes.
37. Predicting the Mixing Behavior of Aqueous Solutions Using a Machine Learning Framework
38. Insights into crowding effects on protein stability from a coarse-grained model
39. On the virial expansion of model adsorptive systems.
40. Symmetry-derived structure directing agents for two-dimensional crystals of arbitrary colloids
41. The third industrial fluid properties simulation challenge
42. Predicting low-temperature free energy landscapes with flat-histogram Monte Carlo methods.
43. Multicomponent adsorption in mesoporous flexible materials with flat-histogram Monte Carlo methods.
44. Effect of the surface charge distribution on the fluid phase behavior of charged colloids and proteins.
45. Computational Investigation of Correlations in Adsorbate Entropy for Pure-Silica Zeolite Adsorbents
46. Flat-histogram extrapolation as a useful tool in the age of big data
47. Symmetry-Based Crystal Structure Enumeration in Two Dimensions
48. Grand canonical inverse design of multicomponent colloidal crystals
49. Dynamic arrest of adhesive hard rod dispersions
50. Depletion-driven crystallization of cubic colloids sedimented on a surface.
Catalog
Books, media, physical & digital resources
Discovery Service for Jio Institute Digital Library
For full access to our library's resources, please sign in.