Publications (22)
Multi-scale theory in the molecular simulation of electrolyte solutions
W. Zhang, X. You, L. R. Pratt
Generalizations of the Fuoss Approximation for Ion Pairing
P. Zhu, X. You, L. R. Pratt +1
Construction of Simulation Wavefunctions for Aqueous Species: D3O+
M. A. Gomez, L. R. Pratt
Quasi-Chemical Theory with Cluster Sampling from Ab Initio Molecular Dynamics: Fluoride (F$^-$) Anion Hydration
A. Muralidharan, L. R. Pratt, M. I. Chaudhari +1
Comparison of Single-Ion Molecular Dynamics in Common Solvents
A. Muralidharan, L. R. Pratt, M. I. Chaudhari +1
Loop-Closure and Gaussian Models of Collective Structural Characteristics of Capped PEO Oligomers in Water
M. I. Chaudhari, L. R. Pratt, M. E. Paulaitis
Statistical analyses of hydrophobic interactions: A mini-review
L. R. Pratt, Mangesh I. Chaudhari, Susan B. Rempe
Mixed Direct-Iterative Methods for Boundary Integral Formulations of Dielectric Solvation Models
S. A. Corcelli, J. D. Kress, L. R. Pratt +1
Direct Numerical Test of the Statistical Mechanical Theory of Hydrophobic Interactions
M. I. Chaudhari, S. Holleran, H. S. Ashbaugh +1
Gaussian Models for the Statistical Thermodynamics of Liquid Water
J. K. Shah, D. Asthagiri, L. R. Pratt +1
Hydration of Kr(aq) in dilute and concentrated solutions
M. I. Chaudhari, D. Sabo, L. R. Pratt +1
Molecular-scale Description of SPAN80 Desorption from the Squalane-Water Interface
L. Tan, L. R. Pratt, M. I. Chaudhari
Balancing Local Order and Long-Ranged Interactions in the Molecular Theory of Liquid Water
J. K. Shah, D. Asthagiri, L. R. Pratt +1
Molecular theory and the effects of solute attractive forces on hydrophobic interactions
M. I. Chaudhari, S. B. Rempe, D. Asthagiri +2
Concentration dependence of the Flory-Huggins interaction parameter in aqueous solutions of capped PEO chains
M. I. Chaudhari, L. R. Pratt, M. E. Paulaitis
Molecular Realism in Default Models for Information Theories of Hydrophobic Effects
M. A. Gomez, L. R. Pratt, G. Hummer +1
Pairing of 1-hexyl-3-methylimidazolium and tetrafluoroborate ions in n-pentanol
P. Zhu, L. R. Pratt, K. D. Papadopoulos
A Heuristic Molecular Model of Hydrophobic Interactions
G. Hummer, S. Garde, A. E. Garcia +2
Boundary Integral Methods for the Poisson Equation of Continuum Dielectric Solvation Models
L. R. Pratt, G. J. Tawa, G. Hummer +2
Case study of Rb+(aq), quasi-chemical theory of ion hydration, and the no split occupancies rule
D. Sabo, D. Jiao, S. Varma +2
Hydrophobic Effects on a Molecular Scale
G. Hummer, S. Garde, A. E. GarcÃa +2
The role of attractive interactions in the dynamics of molecules in liquids
X. You, L. R. Pratt, S. W. Rick