Faculty of Physics, Hanoi University of Science

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Department of Computational Physics and Applied Informatics respectfully invites you to our monthly Seminar, 8AM FRIDAY, Nov 13, 2015:



Date: Fri. 13th Nov. / Time: 8 am – 10 am / Place: Room 408F, Building T1

334 Nguyễn Trãi, Thanh Xuân, Hà Nội

Kính mời mọi người đến dự / Everyone is welcome !


(Keynote) Speaker 1 (8 am-9 am):

Dr. Nguyen The Toan (Faculty of Physics, VNU University of Science / School of Physics, Georgia Institute of Technology, USA)

Title: Introduction to the C++ SimEngine library for rapid development of physics simulation software, and application in a Grand-canonical Monte-Carlo simulation DNA hexagonal bundles

Abstract: The SimEngine library, a C++ library for rapid development of Molecular dynamics and Monte-Carlo simulations for application in material sciences, soft matter and biophysics developed in our group is introduced. The library employs multi-level parallelization for optimum speed: SSE3/AVX/AVX2 vectorized codes on a single CPU core, OpenMP multi-core CPU parallelization, OpenCL GPGPU computing and OpenMPI multi-machine parallelization. A specific application of a Grand-canonical Monte-Carlo simulation of DNA hexagonal bundles is presented. The problem of DNA-DNA interaction mediated by divalent counterions in aqueous solution containing two salts is studied. Experimentally, it is known that divalent counterions have strong effect on the DNA condensation phenomenon, but the condensation varies qualitatively
with different system, different coions. The variations
among different divalent salts might be due to the ion-specific hydration effect. We try to understand this variation using a very simple parameter, the size of the divalent counterions. We investigate how divalent counterions with different sizes can lead to varying qualitative
behaviors of DNA condensation in restricted environments.
Reference: T. T. N., J. of Chemical Physics (2015, accepted with optional revisions), arxiv: 1508.02085

Speaker 2 (9:15 am-9:50 am):

Mr. Pham Ba Duy (Computational Material Science Laboratory, Faculty of Physics, VNU University of Science)

Title: Metal-insulator transition of the two-dimensional electron gas at the LaAlO3/SrTiO3 interface

Abstract: The two-dimensional electron gas is formed at the interface between two insulating perovskites LaAlO3 and SrTiO3, which are experimentally discovered in 2004. Our first principle calculation shows that a critical thickness of LaAlO3, dc = 4, is required so that the quasi-2D electron gas conducts. We will report the effect of the LaAlO3 thickness on the band-structure, the layer-projected density of state and the charge redistribution.


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Department of Computational Physics and Applied Informatics, Faculty of Physics, VNU University of Science