activity
19972019
most citedVan der Waals Energies in Density Functional Theory

504 citations · 580 across the 6 of their papers we have counts for

collaborators

6 papers

physics.chem-ph2019★ 33 cited

Transition path dynamics of a nanoparticle in a bistable optical trap

Niels Zijlstra, Daniel Nettels, Rohit Satija +2

Many processes in chemistry, physics, and biology involve rare events in which the system escapes from a metastable state by surmounting an activation barrier. Examples range from…

cond-mat.stat-mech2018★ 6 cited

Transient probability currents provide upper and lower bounds on non-equilibrium steady-state currents in the Smoluchowski picture

Jeremy Copperman, David Aristoff, Dmitrii E. Makarov +2

Probability currents are fundamental in characterizing the kinetics of non-equilibrium processes. Notably, the steady-state current for a source-sink system can provide th…

physics.bio-ph2009★ 1 cited

Influence of Local and Residual Structures on the Scaling Behavior and Dimensions of Unfolded Proteins

Zhisong Wang, Kevin W. Plaxco, Dmitrii E. Makarov

Although recent spectroscopic studies of chemically denatured proteins hint at significant nonrandom residual structure, the results of extensive small angle X-ray scattering studi…

physics.bio-ph2006

Untying molecular friction knots

Serdal Kirmizialtin, Dmitrii E. Makarov

Motivated by recent advances in single molecule manipulation techniques that enabled several groups to tie knots in individual polymer strands and to monitor their dynamics, we hav…

physics.bio-ph2004★ 36 cited

Theoretical studies of the kinetics of mechanical unfolding of cross-linked polymer chains and their implications for single molecule pulling experiments

Kilho Eom, Dmitrii E Makarov, Gregory J. Rodin

We have used kinetic Monte Carlo simulations to study the kinetics of unfolding of cross-linked polymer chains under mechanical loading. As the ends of a chain are pulled apart, th…

cond-mat1997★ 504 cited

Van der Waals Energies in Density Functional Theory

Walter Kohn, Yigal Meir, Dmitrii E. Makarov

In principle, density functional theory yields the correct ground-state densities and energies of electronic systems under the action of a static external potential. However, tradi…