# Publications by: D.S. Kosov

# Also publishes as (Daniel Kosov, Daniil S. Kosov, Daniel S. Kosov)

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**70**.

Kosov, D.S.
(2017)
*Restoring the Pauli principle in the random phase approximation ground state.*
Chemical Physics Letters, 690.
pp. 20-24.

Kosov, D.S.
(2017)
*Expectation values of single-particle operators in the random phase approximation ground state.*
Journal of Chemical Physics, 146.
pp. 1-4.

Kosov, Daniel S.
(2017)
*Non-renewal statistics for electron transport in a molecular junction with electron-vibration interaction.*
Journal of Chemical Physics, 147 (10).

Kershaw, Vincent F., and Kosov, Daniel S.
(2017)
*Nonequilibrium Green's function theory for nonadiabatic effects in quantum electron transport.*
Journal of Chemical Physics, 147 (22).

Kosov, Daniel S.
(2017)
*Waiting time distribution for electron transport in a molecular junction with electron-vibration interaction.*
Journal of Chemical Physics, 146.
pp. 1-6.

Rudge, Samuel L., and Kosov, Daniel S.
(2016)
*Distribution of residence times as a marker to distinguish different pathways for quantum transport.*
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 94.
pp. 1-5.

Rudge, Samuel L., and Kosov, Daniel S.
(2016)
*Distribution of tunnelling times for quantum electron transport.*
Journal of Chemical Physics, 144 (12).

Brown, Michael, Whittingham, Ian B., and Kosov, Daniel S.
(2016)
*Linear response theory for symmetry improved two particle irreducible effective actions.*
Physical Review D, 93 (10).
pp. 1-13.

Franke, J.-H., and Kosov, D.S.
(2015)
*Chiral selectivity of amino acid adsorption on chiral surfaces — the case of alanine on Pt.*
The Journal of Chemical Physics, 142 (5).
pp. 1-7.

Franke, J-F., and Kosov, D.S.
(2015)
*Adsorption and ring-opening of lactide on the chiral metal surface Pt(321)S studied by density functional theory.*
Journal of Chemical Physics, 142 (4).
pp. 1-7.

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).
pp. 1-17.

Dzhioev, Alan, and Kosov, Daniel
(2014)
*Superoperator coupled cluster method for nonequilibrium density matrix.*
Journal of Physics A: Mathematical and Theoretical, 48.
015004.

Szyja, Bartłomiej M., Nguyen, Huu Chuong, Kosov, Daniel, and Doltsinis, Nikos L.
(2013)
*Conformation-dependent conductance through a molecular break junction.*
Journal of Molecular Modeling, 19 (10).
pp. 4173-4180.

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).
pp. 1-11.

Franke, J-H., and Kosov, D.S.
(2013)
*Adsorption of lactic acid on chiral Pt surfaces: a density functional theory study.*
Journal of Chemical Physics, 138 (8).
pp. 1-7.

Franke, J-H., and Kosov, D.S.
(2013)
*Enantioselectivity of (321) chiral noble metal surfaces: a density functional theory study of lactate adsorption.*
Journal of Chemical Physics, 139 (22).
pp. 1-5.

Kosov, Daniel S., Prosen, Tomaž, and Žunkovič, Bojan
(2013)
*A Markovian kinetic equation approach to electron transport through a quantum dot coupled to superconducting leads.*
Journal of Physics: Condensed Matter, 25 (7).
pp. 1-9.

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).
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.
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.
pp. 1-4.

Cai, Ling, Kosov, Daniel S., and Fushman, David
(2011)
*Density functional calculations of backbone 15N shielding tensors in beta-sheet and turn residues of protein G.*
Journal of Biomolecular NMR, 50 (1).
pp. 19-33.

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

Kosov, Daniel S., Prosen, Tomaz, and Zunkovic, Bojan
(2011)
*Lindblad master equation approach to superconductivity in open quantum systems.*
Journal of Physics A: mathematical and theoretical, 44 (46).
pp. 1-6.

Dzhioev, Alan A., and Kosov, D.S.
(2011)
*Second-order post-Hartree–Fock perturbation theory for the electron current.*
Journal of Chemical Physics, 134.
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).
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.
pp. 1-13.

Cai, Ling, Fushman, David, and Kosov, Daniel S.
(2009)
*Density functional calculations of chemical shielding of backbone 15N in helical residues of protein G.*
Journal of Biomolecular NMR, 45 (3).
pp. 245-253.

Gelin, M.F., and Kosov, D.S.
(2009)
*Asymptotic nonequilibrium steady-state operators.*
Physical Review E (Statistical, Nonlinear, and Soft Matter Physics), 80 (2).
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.
pp. 1-5.

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

Kosov, D.S.
(2009)
*Nonequilibrium Fock space for the electron transport problem.*
Journal of Chemical Physics, 131.
pp. 1-4.

Cai, Ling, Fushman, David, and Kosov, Daniel S.
(2008)
*Density functional calculations of 15N chemical shifts in solvated dipeptides.*
Journal of Biomolecular NMR, 41 (2).
pp. 77-88.

Gelin, M.F., and Kosov, D.S.
(2008)
*Doorway–window description of sequential three-pulse photon echo signals.*
Chemical Physics, 347 (1-3).
pp. 177-184.

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).
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).
pp. 1-5.

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.

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).
pp. 1-9.

Gelin, M.F., and Kosov, D.S.
(2007)
*Manifestation of nonequilibrium initial conditions in molecular rotation: the generalized J-diffusion model.*
Journal of Chemical Physics, 127 (14).
pp. 1-13.

Li, Zhenyu, and Kosov, Daniel
(2007)
*Nature of well-defined conductance of amine-anchored molecular junctions: density functional calculations.*
Physical Review B, 76 (3).
pp. 1-7.

Gelin, M.F., and Kosov, D.S.
(2007)
*Velocity dependence of friction and Kramers relaxation rates.*
Journal of Chemical Physics, 126 (24).
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).
pp. 1-7.

Li, Zhenyu, and Kosov, Daniel S.
(2006)
*Dithiocarbamate anchoring in molecular wire junctions: a first principles study.*
Journal of Physical Chemistry Part B, 110 (20).
pp. 9893-9898.

Li, Zhenyu, and Kosov, Daniel
(2006)
*First-principles calculations of conductance within a plane wave basis set via non-orthogonal Wannier-type atomic orbitals.*
Journal of Physics: Condensed Matter, 18 (4).
pp. 1347-1358.

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).
pp. 1-8.

Li, Zhenyu, and Kosov, Daniel S.
(2006)
*Orbital interaction mechanisms of conductance enhancement and rectification by dithiocarboxylate anchoring group.*
Journal of Physical Chemistry Part B, 110 (39).
pp. 19116-19120.

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).
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).
pp. 1-8.

Gorbunov, Roman D., Kosov, Daniel, and Stock, Gerhard
(2005)
*Ab initio-based exciton model of amide I vibrations in peptides: definition, conformational dependence, and transferability.*
Journal of Chemical Physics, 122 (22).
pp. 1-12.

Doltsinis, Nikos L., and Kosov, D.S.
(2005)
*Plane wave/pseudopotential implementation of excited state gradients in density functional linear response theory: a new route via implicit differentiation.*
Journal of Chemical Physics, 122 (14).
pp. 1-7.

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.
(2003)
*Kohn–Sham equations for nanowires with direct current.*
Journal of Chemical Physics, 119 (1).
pp. 1-5.

Woutersen, Sander, Pfister, Rolf, Hamm, Peter, Mu, Yuguang, Kosov, Daniel S., and Stock, Gerhard
(2002)
*Peptide conformational heterogeneity revealed from nonlinear vibrational spectroscopy and molecular-dynamics simulations.*
Journal of Chemical Physics, 117 (14).
pp. 6833-6840.

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

Popelier, P.L.A. , and Kosov, D.S.
(2001)
*Atom–atom partitioning of intramolecular and intermolecular Coulomb energy.*
Journal of Chemical Physics, 114 (15).
pp. 6539-6547.

Popelier, P.L.A., Joubert, L., and Kosov, D.S.
(2001)
*Convergence of the electrostatic interaction based on topological atoms.*
Journal of Physical Chemistry: Part A, 105 (35).
pp. 8254-8261.

Kosov, D.S., and Greer, J.C.
(2001)
*Many-electron systems with constrained current.*
Physics Letters A, 291 (1).
pp. 46-50.

Kosov, D.S., and Popelier, P.L.A.
(2000)
*Atomic partitioning of molecular electrostatic potentials.*
Journal of Physical Chemistry: Part A, 104 (31).
pp. 7339-7345.

Kosov, D.S., and Popelier, P.L.A.
(2000)
*Convergence of the multipole expansion for electrostatic potentials of finite topological atoms.*
Journal of Chemical Physics, 113 (10).
pp. 3969-3974.

Bittner, Eric R., and Kosov, D.S.
(1999)
*Car–Parrinello molecular dynamics on excited state surfaces.*
Journal of Chemical Physics, 110 (14).
pp. 6645-6656.

Fuchs, C., Kosov, D.S., Faessler, Amand, Wang, Z.S., and Waindzoch, T.
(1998)
*Consequences of covariant kaon dynamics in heavy ion collisions.*
Physics Letters B, 434 (3-4).
pp. 245-250.

Kosov, D.S., Fuchs, C., Martemyanov, B.V., and Faessler, Amand
(1998)
*Constraints on the relativistic mean field of Δ-isobar in nuclear matter.*
Physics Letters B, 421 (1-4).
pp. 37-40.

Wang, Z.S., Faessler, Amand, Fuchs, C., Uma Maheswari, V.S., and Kosov, D.S.
(1998)
*Role of the Coulomb interaction in the flow and the azimuthal distribution of kaons from heavy ion reactions.*
Nuclear Physics A, 628 (1).
pp. 151-160.

Fuchs, C., Waindzoch, T., Faessler, Amand, and Kosov, D.S.
(1998)
*Scalar and vector decomposition of the nucleon self-energy in the relativistic Brueckner approach.*
Physical Review C, 58 (4).
pp. 2022-2032.

Wang, Z.S., Faessler, Amand, Fuchs, C., Uma Maheswari, V.S., and Kosov, D.S.
(1997)
*Anisotropy of subthreshold K+ emission in heavy ion reactions.*
Physical Review Letters , 79 (21).
pp. 4096-4099.

Fuchs, C., Wang, Z., Sehn, L., Faessler, Amand, Uma Maheswari, V.S., and Kosov, D.S.
(1997)
*Origin of subthreshold K+ production in heavy ion collisions.*
Physical Review C, 56 (2).
R606-R609.

Vdovin, A.I., Kosov, D.S., and Nawrocka, W.
(1997)
*Self-consistent random-phase approximation for hot finite Fermi systems.*
Theoretical and Mathematical Physics, 111 (2).
pp. 613-620.

Avdeenkov, A.V., Kosov, D.S., and Vdovin, A.I.
(1996)
*Renormalized RPA in finite temperature.*
Modern Physics Letters A, 11 (10).
pp. 853-859.

Kosov, D.S., and Vdovin, A. I.
(1996)
*Approximate number projection at finite temperature.*
Zeitschrift für Physik A: Hadrons and Nuclei, 355 (1).
pp. 17-21.

Kosov, D.S., and Vdovin, A.I.
(1994)
*The TFD treatment of the quasiparticle-phonon interaction at finite temperature.*
Modern Physics Letters A, 9 (19).
pp. 1735-1743.