Evan J. Arthur

Crowding Induced Collective Hydration of Biological Macromolecules over Extended Distances

John T. King, Evan J. Arthur, Charles L. Brooks et al. · Journal of the American Chemical Society · 2013 · 148 citations

Natural Sciences, Biochemistry, Biophysics +17

On Achieving High Accuracy in Quantum Chemical Calculations of 3<i>d</i> Transition Metal-Containing Systems: A Comparison of Auxiliary-Field Quantum Monte Carlo with Coupled Cluster, Density Functional Theory, and Experiment for Diatomic Molecules

James Shee, Benjamin Rudshteyn, Evan J. Arthur et al. · Journal of Chemical Theory and Computation · 2019 · 88 citations · Full text

Natural Sciences, Chemistry, Physics +12

Site-Specific Hydration Dynamics of Globular Proteins and the Role of Constrained Water in Solvent Exchange with Amphiphilic Cosolvents

John T. King, Evan J. Arthur, Charles L. Brooks et al. · The Journal of Physical Chemistry B · 2012 · 79 citations

Life Sciences, Biochemistry, Biophysics +17

Singlet–Triplet Energy Gaps of Organic Biradicals and Polyacenes with Auxiliary-Field Quantum Monte Carlo

James Shee, Evan J. Arthur, Shiwei Zhang et al. · Journal of Chemical Theory and Computation · 2019 · 61 citations · Full text

Natural Sciences, Chemistry, Physics +16

Phaseless Auxiliary-Field Quantum Monte Carlo on Graphical Processing Units

James Shee, Evan J. Arthur, Shiwei Zhang et al. · Journal of Chemical Theory and Computation · 2018 · 56 citations · Full text

Computing, Computer Science, Physics +16