Members

Prof. SerdaL kIRMIZIALTIN

GoogleScholar
ResearchGate

Physical Chemistry, Theoretical Biology and Biophysics.

Education: Ph.D. Physical Chemistry, University of Texas, Austin M.S. Polymer Physics, Sabanci University B.S. Chemistry, Koc University

E-Mail: serdal@nyu.edu

Dr. Nawavi Naleem

Biophysics, Computer Simulations, Data Science

Education: Ph.D. Chemistry, Kansas State University, USA B.S. Comput. Chemistry, University of Colombo, Sri Lanka

Former Position: Software Engineer; IFS (software company) 

Dr. Naleem’s research interests are molecular simulations, Neural Networks, Machine Learning, Data Science and Artificial Intelligence. He uses his expertise for forcefield optimization, enhanced sampling,and navigating rugged energy landscapes of biomolecules  

Dr. Anja Henning-Knechtel

Biophysics, Bionanotechnology, Computer Simulation

Education: Ph.D. Chemistry, Dresden University of Technology, Dresden, Germany M.Sc. Nanobiophysics, Dresden University of Technology, Dresden, Germany

Former Position: Postdoctoral Research Fellow, University of Oxford, UK

Anja is interested to address basic but key research challenges on the single-molecular level. Her current focus is on using MD simulation to investigate structure formation, stability, functionality, and nanotechnological applications of nucleic acids and proteins. In her free time, she enjoys diving and trekking.

Dr. Akshaya Kumar Das

Biophysics, Chemistry and Computer simulation

Education: Ph.D. University of Basel, Switzerland M.Sc Chemistry, IIT Kanpur, India B.Sc Chemistry, Ravenshaw University, India

Former Position:  Postdoctoral Associate, University of California, Berkeley, USA

Akshaya is interested in optimizing forcefields and interpreting structure and dynamics of RNA molecules using machine learning and enhanced sampling.

DR. Rabindranath Paul

Physical Chemistry, Material Science, Biophysics, Computer Simulations and Machine Learning

Education: Ph.D. IIT Guwahati, Assam, India
M.Sc. Physical Chemistry, The University of Burdwan, West Bengal, India
B.Sc. Chemistry, Katwa College, The University of Burdwan, West Bengal, India

Former Position: Postdoctoral Associate, University of Illinois Urbana-Champaign, Illinois, USA

E-Mail: rp4207@nyu.edu

Rabi is interested in addressing basic but key challenges in the petroleum industry. He is currently working to find the key inhibitor to address the Asphaltene aggregation problem during petroleum production. In his free time, he enjoys playing and watching games. To know more about him and his research, please click these links: Google Scholar (https://scholar.google.co.in/citations?user=7AJ0soQAAAAJ&hl=en), Linkedin (https://www.linkedin.com/in/rabindranath-paul-7a25911b1/), Orcid (https://orcid.org/my-orcid?orcid=0000-0003-4870-4608), X (https://twitter.com/rabi_compchem).

Nour Alkhatib

Material science, Molecular simulations, Chemical processes. 

Education: B.S. Chemical engineering, Abu Dhabi University, UAE

Former position: Research Assistant at Khalifa university, UAE

Email: na2416@nyu.edu

Nour is interested in Molecular simulations both Molecular Dynamics and Monte Carlo on topics related to gas separation, carbon dioxide capture, and water treatment. 

Saifeldeen Hatim S Abed Alrhman

Energy & sustainability, molecular simulation & dynamics, material science.

Education: B.S. Chemical engineering, United Arab Emirates University, UAE

Email: saa788@nyu.edu

Saif has high interest in energy, sustainability, and environment. He is currently working on sour natural gas treatment by Eliminating acidic and corrosive impurities, such as H2S. His studies focus on capturing H2S molecules and breaking them down for hydrogen production purposes. He is an enthusiastic computationalist who studies the effectiveness of Metal Organic Frameworks in achieving the objectives of his studies using molecular dynamics and simulations. Saif enjoys simplicity. He enjoys the beach, the sea, the desert, the sunrise, the sunset, and the full moon as well as sports.

Sara Mahmoud Elgengehi

Materials Science, Quantum Chemistry, Molecular simulations

Education: M.Sc. Physical Chemistry, Cairo University, Egypt B.Sc. Chemistry, Cairo University, Egypt

E-Mail: sme9918@nyu.edu

Sara is interested in Molecular simulations both Quantum Mechanics and Molecular Dynamics on topics related to Nanomaterials, Metal Organic Frameworks and Gas separation. Her current focus is finding solutions to BTEX pollutants in the petroleum industry.

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