Items where Subject is "03 CHEMICAL SCIENCES > 0307 Theoretical and Computational Chemistry > 030704 Statistical Mechanics in Chemistry"

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Article

Dzhioev, Alan A., and Kosov, D.S. (2014) Nonequilibrium configuration interaction method for transport in correlated quantum systems. Journal of Physics A: Mathematical and Theoretical, 47 (9). 095002. pp. 1-17.

Dolgikh, Anton V., and Kosov, Daniel S. (2013) Out-of-equilibrium one-dimensional disordered dipole chain. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 88 (1). 012118. pp. 1-11.

Dzhioev, Alan A., Kosov, Daniel S., and von Oppen, Felix (2013) Out-of-equilibrium catalysis of chemical reactions by electronic tunnel currents. Journal of Chemical Physics, 138 (13). 134103. pp. 1-9.

Dzhioev, Alan A., and Kosov, D.S. (2012) Nonequilibrium perturbation theory in Liouville–Fock space for inelastic electron transport. Journal of Physics: Condensed Matter, 24. 22534. p. 225304.

Dzhioev, Alan A., and Kosov, Daniel (2012) Solvent-induced current-voltage hysteresis and negative differential resistance in molecular junctions. Physical Review B, 85. 033408. pp. 1-4.

Dzhioev, Alan A., and Kosov, D.S. (2011) Kramers problem for nonequilibrium current-induced chemical reactions. Journal of Chemical Physics, 135 (7). 074701. pp. 1-5.

Dzhioev, Alan A., and Kosov, D.S. (2011) Second-order post-Hartree–Fock perturbation theory for the electron current. Journal of Chemical Physics, 134. 154107. pp. 1-7.

Dzhioev, Alan, and Kosov, Daniel (2011) Stability analysis of multiple nonequilibrium fixed points in self-consistent electron transport calculations. Journal of Chemical Physics, 135 (17). 174111. pp. 1-7.

Dzhioev, Alan A., and Kosov, D.S. (2011) Super-fermion representation of quantum kinetic equations for the electron transport problem. Journal of Chemical Physics, 134. 044121. pp. 1-13.

Gelin, M.F., and Kosov, D.S. (2009) Asymptotic nonequilibrium steady-state operators. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80 (2). 022101. pp. 1-4.

Gelin, M.F., and Kosov, D.S. (2009) Calculation of semiclassical free energy differences along nonequilibrium classical trajectories. Journal of Chemical Physics, 131. 164510. pp. 1-5.

Gelin, M.F., and Kosov, D.S. (2009) Microscopic origin of the jump diffusion model. Journal of Chemical Physics, 130. 134502. pp. 1-7.

Kosov, D.S., Gelin, M.F., and Vdovin, A.I. (2008) Calculations of canonical averages from the grand canonical ensemble. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 77 (2). 021120. pp. 1-6.

Gelin, M.F., and Kosov, D.S. (2008) Directed motion and useful work from an isotropic nonequilibrium distribution. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 77 (1). 011115. pp. 1-5.

Gelin, M.F., and Kosov, D.S. (2008) Unified approach to the derivation of work theorems for equilibrium and steady-state, classical and quantum Hamiltonian systems. Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 78 (1). 011116. pp. 1-9.

Gelin, M.F., and Kosov, D.S. (2007) Velocity dependence of friction and Kramers relaxation rates. Journal of Chemical Physics, 126 (24). 244501. pp. 1-5.

Gelin, M.F., and Kosov, D.S. (2006) Angular momentum dependent friction slows down rotational relaxation under nonequilibrium conditions. Journal of Chemical Physics, 125 (22). 224502. pp. 1-7.

Gelin, M.F., and Kosov, D.S. (2006) Molecular reorientation in hydrogen-bonding liquids: through algebraic ∼t⁻³∕² relaxation toward exponential decay. Journal of Chemical Physics, 124 (14). 144514. pp. 1-8.

Gelin, M.F., Li, Zhenyu, and Kosov, Daniel (2006) Self-similarity of single-channel transmission for electron transport in nanowires. Journal of Chemical Physics, 124 (10). 104703. pp. 1-5.

Gelin, M.F., and Kosov, D.S. (2006) What can be learned about molecular reorientation from single molecule polarization microscopy? Journal of Chemical Physics, 125 (5). 054708. pp. 1-8.

Kosov, D.S. (2004) Lagrange multiplier based transport theory for quantum wires. Journal of Chemical Physics, 120 (15). pp. 7165-7168.

Mu, Yuguang, Kosov, Daniil S., and Stock, Gerhard (2003) Conformational dynamics of trialanine in water. 2. Comparison of AMBER, CHARMM, GROMOS, and OPLS force fields to NMR and infrared experiments. Journal of Physical Chemistry Part B, 107 (21). pp. 5064-5073.

Kosov, D.S. (2002) Schrödinger equation for current carrying states. Journal of Chemical Physics, 116 (14). pp. 6368-6375.

Conference Item

Gelin, M.F., and Kosov, D.S. (2008) Self-consistent Hartree-Fock approximation for non-equilibrium electron transport through nanostructures. In: Proceedings of the American Institute of Physics Conference (2008) pp. 115-121. From: Nuclei and Mesoscopic Physics: workshop on nuclei and mesoscopic physics, 20-22 October 2007, Michigan, USA.

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