Research

Publications

P.S. Georgiou, M. Barahona, S.N. Yaliraki, E.M. Drakakis Device Properties of Bernoulli Memristors. Proceedings of the IEEE. DOE 10.1109/JPROC.2011.2164889, in press (2011)

A Delmotte, E.W Tate, S.N Yaliraki, M Barahona Protein multi-scale organization through graph partitioning and robustness analysis: application to the myosin–myosin light chain interaction. Phys. Biol. 8 055010 (2011)

N. Krishnamoorthy, M.H. Yacoub, S.N. Yaliraki A computational modeling approach for enhancing self-assembly and biofunctionalisation of collagen biomimetic peptides. Biomaterials. 32(30), 7275-7285 (2011)

J.-C. Delvenne, S.N. Yaliraki, M. Barahona Stability of graph communities across time scales. Proc. Nat. Acad. Sci. USA. 107(29), 12755-12760 (2010)

E.M Drakakis, S.N. Yaliraki, M. Barahona Memristors and Bernoulli dynamics 2010 12th International Workshop Cellular Nanoscale Networks and Their Applications (CNNA), p.1-6, doi 10.1109/CNNA.2010.5430324 (2010).

R. Grima, S.N. Yaliraki, M. Barahona Crowding-Induced Anisotropic Transport Modulates Reaction Kinetics in Nanoscale Porous Media. J. Phys. Chem. B. 114(16), 5380–5385 (2010)

L. Paramonov, M.G. Burke, S.N. Yaliraki Coarse-grained dynamics of anisotropic systems, book chapter in Coarse-graining of condensed phase and biomolecular systems, G. Voth (Ed), CRC Press, (2008).

S.N. Yaliraki and M. Barahona Chemistry across scales: from molecules to cells. Phil. Trans. R. Soc. A. 365(1861), 2921-2934 (2007)

R. Grima and S.N. Yaliraki Brownian motion of an asymmetrical particle in a potential field. J. Chem. Phys. 127, 084511 (2007)

M. Hemberg, S.N. Yaliraki, M. Barahona Stochastic kinetics of viral capsid assembly based on detailed protein structures. Biophys. J. 90(9), 3029-3042 (2006)

M.G. Burke and S.N. Yaliraki Exploring model energy and geometry surfaces using sum of squares decompositions. J. Chem. Theory Comput. 2(3), 575–587 (2006)

J.R. Costa and S.N. Yaliraki Role of rigidity on the activity of proteinase inhibitors and their peptide mimics. J. Phys. Chem. B. 110(38), 18981–18988 (2006)

S.N. Yaliraki, G. Longo, E. Gale, I. Szleifer, M.A. Ratner Stability and phase separation in mixed self-assembled monolayers. J. Chem. Phys. 125, 074708 (2006)

D.Cubero and S.N. Yaliraki Formal derivation of dissipative particle dynamics from first principles. Phys. Rev. E 72, 032101 (2005)

L. Paramonov and S.N. Yaliraki The directional contact distance of two ellipsoids: Coarse-grained potentials for anisotropic interactions. J. Chem. Phys. 123, 194111 (2005)

D. Cubero and S.N. Yaliraki Inhomogeneous multiscale dynamics in harmonic lattices. J. Chem. Phys. 122, 034108 (2005)

M.G. Burke, R. Woscholski, S.N. Yaliraki Differential hydrophobicity drives self-assembly in Huntington's disease. Proc. Nat. Acad. Sci. USA. 100, 13928-13933 (2003)

R. Tucknott and S.N. Yaliraki Aggregation properties of carbon nanotubes at interfaces. Chem. Phys. 281, 455-463 (2002)

P. Hanggi, M. Ratner, S. Yaliraki. Processes in Molecular Wires-Preface. Chem. Phys. 281, 111 (2002).

M.R. Diehl, S.N. Yaliraki, R.A.. Beckman, M. Barahona, J.R. Heath. Self-Assembled, Deterministic Carbon Nanotube Wiring Networks. Angew. Chem. Int. Edit. 41, 351-356 (2002). (Very Important Paper).

S.N. Yaliraki and M.A. Ratner. Interplay of Topology and Chemical Stability on the Electronic Transport of Molecular Junctions. Ann. N.Y. Acad. Sci. 960, 153 (2002).

S.N. Yaliraki, A.E. Roitberg, C. Gonzalez, V. Mujica, M.A. Ratner. The injecting energy at molecule/metal interfaces: implications for conductance of molecular junctions from an ab-initio molecular description. J. Chem. Phys. 111, 6997-7002 (1999).

I. Ledoux, I.D.W. Samuel, J. Zyss & S.N. Yaliraki, F.J. Schattenmann, R.R. Schrock, R.J. Silbey. Third-order Microscopic Nonlinearities of very Long Chain Polyenes: Saturation Phenomena and Conformational Effects. Chem. Phys. 245, 1-16 (1999) (Invited Paper, Special issue on Molecular Nonlinear Optics: Materials, Phenomena & Devices).

S.N. Yaliraki and R.J. Silbey. Hyper-Rayleigh Scattering of Centrosymmetric Molecules in Solution. J. Chem. Phys. 111, 1561-1568 (1999).

S.N. Yaliraki and R.J. Silbey. Effects of an Applied Field on the Structure of Finite Polyenes. J. Phys. Chem. A 103, 2262-2266 (1999).

S.N. Yaliraki, M. Kemp, M.A. Ratner. Conductance of Molecular Wires: Influence of Molecule-Electrode Binding. J. Am. Chem. Soc. 121, 3428-3434 (1999).

S.N. Yaliraki and M.A. Ratner. Molecule-Interface Coupling Effects on Electronic Transport in Molecular Wires. J. Chem. Phys. 109, 5036-5043 (1998).

M.A. Ratner, B. Davis, M. Kemp, V. Mujica, A. Roitberg and S. Yaliraki. Molecular Wires: Charge Transport, Mechanisms and Control. Ann. N.Y. Acad. Sci. 852, 22-37 (1998).

S.N. Yaliraki and R.J. Silbey. Effects of Conformational Disorder on the Conjugation Length and Non-Linear Optical Properties of Conjugated Polymers. Tr. J. Phys. 21, 73-81 (1997).

S.N. Yaliraki and R.J. Silbey. Conformational Disorder of Conjugated Polymers: Implications for Optical Properties. J. Chem. Phys. 104, 1245-1253 (1996).

D. Zolandz, S.N. Yaliraki, W. Klemperer, S. Carocci, P. Minguzzi, M. Tonelli, A. Di Lieto. A Search for Nuclear Quadrupole Effects on the Dipole Moment of Methyl-Iodide. J. Mol. Spectr. 160, 351-358 (1993).