Ngoc Linh Nguyen
The University of Chicago
Institute for Molecular Engineering
5640 South Ellis Avenue
Chicago, IL 60637
Phone: (773) 834-7370
Email: ngoclinh at uchicago edu
Former SNSF Postdoctoral Fellow
Education
- Ph.D.. in Theory and Numerical Simulation of Condensed Matter, SISSA, Trieste, Italy (2012), Advisor: Professor Stefano de Gironcoli and Dr. Simone Piccinin
- B.S. in Physics, College of Natural Science, National University of Hochiminh City, Vietnam (2006), Advisor: Professor Vo Van Hoang
Professional Affiliations
- Member of Swiss Physics Society and American Physical Society
Areas of Interest
My research interests are involved in developing and applying computational modelling techniques to invent new materials. In particular, the research topics are focused on using the first-principles methods such as Density Functional Theory (DFT) or many-body perturbation theory to:
- Study photoemission spectral properties of materials
- Improve performance and discover: new catalysts relevant to the chemical industry, and new materials for energy conversion and storage, and thermal transports
- Developments the advanced algorithms or methods to increase accuracy as well as efficiency for the simulations
Experience
- 2017 - present: Postdoctoral research scholar, supervised by Prof. Giulia Galli, University of Chicago
- 2012 - 2017: Postdoctoral research scholar, supervised by Prof. Nicola Marzari, THEOS-EPFL, Lausanne, Switzerland
- 2012 - 2017: Teaching assistant, IMX-EPFL, Lausanne, Switzerland
- 2008 - 2012: Research assistant, supervised by Professor Stefano de Gironcoli and Dr. Simone Piccinin, SISSA, Trieste, Italy
- 006 - 2008: Research assistant, supervised by Prof. Vo Van Hoang, Institute of Technology, National University of Hochiminh City
- 2006 - 2008: Teaching assistant, Institute of Technology, National University of Hochiminh City
Publications
- N.L. Nguyen, G. Borghi, A. Ferretti, N. Marzari
First-principles photoemission spectroscopy of DNA and RNA nucleobases from Koopmans- compliant functionals
Journal of Chemical Theory and Computation 12, 3948 (2016) - N.L. Nguyen, G. Borghi, A .Ferretti, I. Dabo, N. Marzari
First principles photoemission spectroscopy and orbital tomography in molecules from Koopmans- compliant functionals
Physical Review Letters 114, 166405 (2015) - G. Borghi, C.H. Park, N.L. Nguyen, A. Ferretti, N. Marzari
Variational minimization of orbital-density-dependent functionals
Physical Review B 91, 155112 (2015) - G. Borghi, A. Ferretti, N.L. Nguyen, I. Dabo, N. Marzari
Koopmans-compliant functionals and their performance against reference molecular data
Physical Review B 90, 075135 (2014) - N.L.Nguyen, N. Colonna, S. de Gironcoli
Ab initio self-consistent total-energy calculations within the EXX/RPA formalism Physical Review B 90, 045138 (2014) - N.L. Nguyen, S. de Gironcoli, S Piccinin
Ag-Cu catalysts for ethylene epoxidation: Selectivity and activity descriptors
The Journal of Chemical Physics 138, 184707 (2013) - N.L. Nguyen, S. Piccinin, S. de Gironcoli
Stability of intermediate states for ethylene epoxidation on Ag-Cu alloy catalyst: A first- principles investigation
The Journal of Physical Chemistry C 115, 10073 (2011) - N.L. Nguyen, N.H.B. Trong, V.V. Hoang, T.T.T. Hanh
Pressure-induced structural and dynamic transitions in stimulated liquid aluminosilicate nanoparticles
Physics and Chemistry of Liquids 49, 81 (2011) - S. Piccinin, N.L. Nguyen, C. Stampfl, M. Scheffler
First-principles study of the mechanism of ethylene epoxidation over Ag-Cu particles
Journal of Materials Chemistry 20, 10521 (2010) - N.L.Nguyen, V.V. Hoang
Surface structure and structural point defects of liquid and amorphous aluminosilicate nanoparticles Journal of Physics: Condensed Matter 20, 265005 (2008) - N.L. Nguyen, V.V. Hoang
Structural properties of amorphous Al2O3.2SiO2 nanoparticles
Molecular Simulation 34, 29 (2008) - V.V. Hoang, N.L. Nguyen
Finite size effects on static and dynamic properties of non-periodic boundary condition supercooled liquids
Journal of the Physical Society of Japan 76, 114602 (2007) - V.V. Hoang, N.L. Nguyen, N.H. Hung
Pressure and temperature induced structural changes in simulated amorphous Al2O3- 2SiO2
Physica Status Solidi (b) 244, 3074 (2007) - N.L. Nguyen, V.V. Hoang
Evolution of structure of liquid and amorphous Al2O3-2SiO2 nanoparticles upon cooling from the melts
NANO 2, 227 (2007) - N.L.Nguyen, V.V. Hoang
Structural properties of simulated liquid and amorphous aluminium silicates Physica Scripta 76, 165 (2007) - V.V. Hoang, N.L. Nguyen, N.H. Hung
Structure and dynamics of liquid and amorphous Al2O3-2SiO2
European Physical Journal. Applied Physics 37, 111 (2007) - V.V. Hoang, N.L. Nguyen, N.H. Hung
Liquid-liquid phase transition in simulated liquid Al2O3-2SiO2 Physica Scripta 74, 697 (2006)
Summary Articles
- I. Dabo, A. Ferretti, G. Borghi, N.L. Nguyen, N. Poilvert, C.H. Park, M. Cococcioni, N. Marzari
Piecewise linearity and spectroscopic properties from Koopmans-compliant functionals
PSI-K SCIENTIFIC HIGHLIGHT OF THE MONTH, 119, 1 (2013)
Book Chapter
- N. Poilvert, G. Borghi, N.L. Nguyen, N.D. Keilbart, K. Wang, I. Dabo
Chapter five - Koopmans-compliant self-interaction corrections
Advances In Atomic, Molecular, and Optical Physics, Volume 64, Pages 2-437 (2015). Edited by Ennio Arimondo, Chun C. Lin and Su- sanne F. Yelin - N.L. Nguyen
PhD thesis - “Toward realistic DFT description of complex systems: Ethylene epoxidation on Ag-Cu alloys and RPA correlation in van der Waals molecules”
Area: Theory and Numerical Simulation of Condensed Matter, SISSA Digital Library, (2012).