People

Sergey Kozlov, Principal Investigator

Sergey Kozlov holds the position of Assistant Professor at the Department of Chemical and Biomolecular Engineering at the National University of Singapore. He possesses interdisciplinary expertise at the crossroads of chemistry, physics, materials science, and nanotechnology and develops new theoretical and computational approaches for the description of nanoscale interactions.

Email: sergey.kozlov@nus.edu.sg; Office: E4 05-45
ORCID: 0000-0002-7765-4649; Publication list on Google Scholar, Research Gate 

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2019 – nowAssistant Professor at the National University of Singapore
2016 – 2019 Postdoc at King Abdullah University of Science and Technology (Saudi Arabia)
2010 – 2015Ph.D. in Chemistry at the University of Barcelona (Spain)
2003 –2009M.Sc. and B.Sc. in Physics at Novosibirsk State University (Russia)

Uzma Anjum, Research Fellow

Her work is focused on designing alloy nanoparticles for heterogeneous catalysis and electrocatalysis towards the understanding and rationalizing systems for CO2 utilization, energy, and fuel technologies using density functional theory (DFT) simulations.

Email: cheua@nus.edu.sg; Location: E5-B-04

Publication list on Google Scholar, Research Gate

2020-nowResearch Fellow at the National University of Singapore
2019-2020Research Associate at the Indian Institute of Technology Delhi (India)
2014-2019Ph.D. in Chemical Engineering at the Indian Institute of Technology Delhi (India)
2010-2012M.Tech in Nanochemistry and Nanotechnology
at the Joseph Fourier University (France) and Delhi University (India)

Paulo de Carvalho Dias Mendes, Research Fellow

He has research experience in experimental electrochemistry, materials science, and in computational chemistry using ab initio calculations. Currently, he employs density functional theory to study the use of transition-metal nanoparticles in catalytic applications.

Email: paulocdm@nus.edu.sg, Location: E5-B-04

ORCID: 0000-0003-4956-4387; Publication list on Lattes CNPq

2021-nowPostdoctoral Fellow at the National University of Singapore
2016-2020Ph.D. in physical chemistry at the University of São Paulo (Brazil)
2008-2015M.Sc. and B.Sc. in Chemistry at the Federal University of São Carlos (Brazil)

Fernando Buendia Zamudio, Research Fellow

My research focuses on understanding the relationship between the electronic and geometrical configuration of novel materials and their catalytic properties. Ab-initio calculations altogether with the development of new tools and theoretical models are used for this purpose and are part of my expertise.

Email: ferbuza@nus.edu.sg, Location: E5-03-39

ORCID: 0000-0002-1787-0091; Publication list on Google Scholar, Researchgate

2021-nowPostdoctoral Fellow at the National University of Singapore
2018-2021Postdoctoral Fellow at the Physics Institute,
National Autonomous University of Mexico (Mexico)
2014-2018Ph. D in Science and Engineering of Materials
at National Autonomous University of Mexico (Mexico)
2012-2014M. Sc. in Engineering of Materials at National Autonomous University of Mexico       

Song Yizhen, Ph.D. student

My research interest is to explore novel chemical and physical interactions on the nanoscale to develop better catalysts. And my research focuses on the atomic scale simulations of nanostructured materials (transition metal nanoparticles on oxide supports) for catalysis using density functional theory.

Email: songyizhen@u.nus.edu; Location: E5-B-04

2020-nowPh.D. at the National University of Singapore
2016-2019M.Sc. at Xi’an Jiaotong University (China)
2012-2016B.Sc. at Shandong University (China)

Arravind Subramanian, Ph.D. student

My work focuses on atomic scale simulations of alloy nanoparticles in developing novel catalysts for dehydrogenation of short-chained hydrocarbons and CO2 utilization using density functional theory.

Email: arravind.subramanian07@u.nus.edu; Location:  E5-B-04

2020-nowPh.D. at the National University of Singapore 
2015-2019B.Tech in Chemical Engineering at Anna University (India)

Wenrui Ma, Ph.D. student

My research interest is finding novel catalysts for CO2 utilization to address the climate change problem and increasing energy demand. Currently, I employ density functional theory (DFT) simulation to understand the CO2 hydrogenation mechanism on nanocomposite catalysts.

Email: mawenrui@u.nus.edu, Location: E5-03-39

2021-nowPh.D. at the National University of Singapore
2016-2021B.Eng at Tsinghua University (China)

Mohammed Aliasgar, Ph.D. student

My research interest is in developing catalyst to reduce the CO2 emissions by working on an atomic scale to understand the reaction intermediates. I will be using Density Functional Theory (DFT) to understand and work on the development of the catalyst to reduce the CO2 impact on the climate change.

Email: mohammedaliasgar@u.nus.edu, Location: E5-03-3

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2021-nowPh.D. at the National University of Singapore
2018-2021B.Eng. in Chemical Engineering at the National University of Singapore

Janobiddinkhuja Bahodurov, Research Engineer

My research focuses on multiscale simulations of transition metal nanoparticles on oxide supports using a combination of molecular mechanics with interatomic potentials and density functional simulations.

Email: chebj@nus.edu.sg ; Location: E5-B-04

2020 – nowResearch Engineer at the National University of Singapore
2015 – 2019B.Sc. at the National University of Science and Technology MISIS (Russia)

Past

Hanbo Ding, M.Sc. thesis (2022)

Savitha Srinivasan, Internship (2021)

Eamon Malcolm Smith, SERIUS program Internship (2021)

Shawn Zi Ming Ng, Research Apprentice (2020)

Weihan Lin, Vacation Internship program (2020)

Emmanuel Alexander Junior Raj, Internship (2020)