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Search Publications by: Alex Smolyanitsky (Fed)

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Displaying 26 - 50 of 59

ThermoData Engine (TDE) Version 10.2 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

August 31, 2017
Author(s)
Vladimir Diky, Chris D. Muzny, Alexander Y. Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Yauheni Paulechka, Andrei F. Kazakov, Scott A. Townsend, Eric W. Lemmon, Michael D. Frenkel, Kenneth G. Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

Functionalized MoS2 nanorribon as a capacitive displacement sensor for DNA sequencing

September 13, 2016
Author(s)
Alex Smolyanitsky, Tsjerk A. Wassenaar, Eugene Paulechka, Kenneth Kroenlein
We propose an aqueous functionalized molybdenum disulfide nanoribbon suspended over a solid electrode as a capacitive displacement sensor aimed at determining the DNA sequence. The detectable sequencing events arise from the combination of Watson–Crick

ThermoData Engine (TDE) Version 10.1 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

July 14, 2016
Author(s)
Vladimir Diky, Chris D. Muzny, Alexander Y. Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Yauheni Paulechka, Andrei F. Kazakov, Scott A. Townsend, Eric W. Lemmon, Michael D. Frenkel, Kenneth G. Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

ThermoData Engine (TDE) Version 10 (Pure Compounds, Binary Mixtures, Ternary Mixtures, and Chemical Reactions): NIST Standard Reference Database 103b

December 31, 2015
Author(s)
Vladimir Diky, Chris Muzny, Alexander Smolyanitsky, Ala Bazyleva, Robert D. Chirico, Joe W. Magee, Eugene Paulechka, Andrei F. Kazakov, Scott Townsend, Eric Lemmon, Michael D. Frenkel, Kenneth Kroenlein
The ThermoData Engine is a software expert system implementing the concept of dynamic data evaluation for thermophysical and thermochemical properties of, primarily, organic compounds. This new release provides a substantially expanded database of

Nucleobase-functionalized graphene nanoribbons for accurate high-speed DNA sequencing

December 23, 2015
Author(s)
Eugene Paulechka, Tsjerk A. Wassenaar, Kenneth Kroenlein, Andrei F. Kazakov, Alex Smolyanitsky
We propose a water-immersed nucleobase-functionalized suspended graphene nanoribbon as an intrinsically selective device for nucleotide detection. The proposed sensing method combines Watson–Crick selective base pairing with graphene's capacity for

Particle-based simulation of nanoscale systems and materials

January 1, 2015
Author(s)
Alexander Y. Smolyanitsky, Vinod K. Tewary
This book chapter is focused on the introduction of molecular dynamics (MD) and molecular statics (MS), as well as some of their uses for studying the thermomechanical and (indirectly) electronic properties at the nanoscale. We first introduce the general

Mass diffusion of organic fluids: a molecular dynamics perspective

May 31, 2013
Author(s)
Alexander Y. Smolyanitsky, Andrei F. Kazakov, Thomas J. Bruno, Marcia L. Huber
A well-established interaction potential, the Optimized Potential for Liquid Simulation All-Atom (OPLS-AA) force-field, within the MD framework was used to determine self- and mutual diffusivity of several near-critical and supercritical fluids. The test

Toward a Probe-Based Method for Determining Exfoliation Energies of Lamellar Materials

October 4, 2012
Author(s)
Zhao Z. Deng, Alexander Smolyanitsky, Qunyang Li, Xi-Qiao Feng, Rachel J. Cannara
We discuss a potential new measurement application based on nanotribological measurements and simulations of the model lamellar material graphite. While frictional forces always oppose motion, we have observed that friction increases with decreasing load