Ali Hassanali

Permanent Scientific Staff
Senior Research Scientist
Ali Hassanali
Condensed Matter and Statistical Physics
+39 040 2240 175
ahassana@ictp.it
+39 040 2240 175
ahassana@ictp.it
LB-247
https://sites.google.com/view/alihassanaliresearchgroup/
0000-0002-3208-1488

Ali Hassanali

I obtained my PhD in 2010 at The Ohio State University working on the development and application of computational models to study water near interfaces. After a 3 year Postdoc with Prof. Michele Parrinello, I moved to the CMSP group at the ICTP where I began my independent career.

My research is at the boundary between physics, chemistry and biology. I am interested in the physical chemistry of liquids with a special focus on aqueous systems. We use advanced computational techniques including both classical and first principles electronic structure approaches to investigate the structural, dynamical and electronic properties of organic matter immersed in water. We collaborate with leading experimental groups in the field.

Personal Information:

Name:                    Hassanali, Ali

Researcher IDs:     Google Scholar

Date of Birth:          December 29, 1979

Nationality:             Tanzanian

Website:                 http://users.ictp.it/~ahassana/index.html

 

Education:

2004 – 2010                 PhD in Biophysics at The Ohio-State University, Columbus Ohio, USA. PhD awarded in August 2010 on “Water at molecular interfaces: structure and dynamics near biomolecules and amorphous silica”

2002 – 2004                 M.S. in Mathematics at Purdue University, West-Lafayette, Indiana, USA.

2002 – 2004                 BSc. in Mathematics and Computer Science at Purdue University, West-Lafayette, Indiana, USA.

Current Position:

2019 – present             Tenured Research Scientist at The International Center for Theoretical Physics (ICTP), Trieste, Italy

Previous Positions:

2015 – 2018                 Tenure-track Junior Research Scientist at The International Center for Theoretical Physics (ICTP), Trieste, Italy

2013 – 2015                 Senior-Postdoctoral Fellow at The International Center for Theoretical Physics (ICTP), Trieste, Italy

2010 – 2013                 Postdoctoral Research Fellow at the ETH-Z and University of Lugano, Switzerland.

Fellowships and Awards:

2010 – 2013                 Postdoctoral Fellowship with Prof. Michele Parrinello at ETH Lugano.

2009 – 2010                 Presidential Fellowship from Graduate Program at Ohio State University

2009                              Outstanding Research Award in Biophysics Graduate Program

 

Publications

Journal article
2016
Proton Transfer and Structure-Specific Fluorescence in Hydrogen Bond-Rich Protein Structures.
Journal of the American Chemical Society (2016)
Pinotsi D | Grisanti L | Mahou P | Gebauer R | Kaminski CF | Hassanali A | Kaminski Schierle GS
Journal article
2016
Nuclear quantum effects in a HIV/cancer inhibitor: The case of ellipticine.
The Journal of chemical physics (2016)
Sappati S | Hassanali A | Gebauer R | Ghosh P
Journal article
2016
Ab Initio Quality NMR Parameters in Solid-State Materials Using a High-Dimensional Neural-Network Representation.
Journal of chemical theory and computation (2016)
Cuny J | Xie Y | Pickard CJ | Hassanali AA
Journal article
2016
Protons and Hydroxide Ions in Aqueous Systems.
Chemical reviews (2016)
Agmon N | Bakker HJ | Campen RK | Henchman RH | Pohl P | Roke S | Thämer M | Hassanali A
Journal article
2016
Water Determines the Structure and Dynamics of Proteins.
Chemical reviews (2016)
Bellissent-Funel MC | Hassanali A | Havenith M | Henchman R | Pohl P | Sterpone F | van der Spoel D | Xu Y | Garcia AE
Journal article
2016
Probing Defects and Correlations in the Hydrogen-Bond Network of ab Initio Water.
Journal of chemical theory and computation (2016)
Gasparotto P | Hassanali AA | Ceriotti M
Journal article
2016
Characterizing the local solvation environment of OH(-) in water clusters with AIMD.
The Journal of chemical physics (2016)
Crespo Y | Hassanali A
Journal article
2015
Unveiling the Janus-Like Properties of OH(-).
The journal of physical chemistry letters (2015)
Crespo Y | Hassanali A
Journal article
2015
Role of Quantum Vibrations on the Structural, Electronic, and Optical Properties of 9-Methylguanine.
The journal of physical chemistry. A (2015)
Law YK | Hassanali AA
Journal article
2015
Structure and Dynamics of the Instantaneous Water/Vapor Interface Revisited by Path-Integral and Ab Initio Molecular Dynamics Simulations.
The journal of physical chemistry. B (2015)
Kessler J | Elgabarty H | Spura T | Karhan K | Partovi-Azar P | Hassanali AA | Kühne TD
Journal article
2015
DNA Binding to the Silica Surface.
The journal of physical chemistry. B (2015)
Shi B | Shin YK | Hassanali AA | Singer SJ
Journal article
2014
Ab initio molecular dynamics study of the mechanism of proton recombination with a weak base.
The journal of physical chemistry. B (2014)
Cuny J | Hassanali AA
Journal article
2014
The role of quantum effects on structural and electronic fluctuations in neat and charged water.
The journal of physical chemistry. B (2014)
Giberti F | Hassanali AA | Ceriotti M | Parrinello M
Journal article
2014
Anomalous water diffusion in salt solutions.
Proceedings of the National Academy of Sciences of the United States of America (2014)
Ding Y | Hassanali AA | Parrinello M
Journal article
2014
Aqueous solutions: state of the art in ab initio molecular dynamics.
Philosophical transactions. Series A, Mathematical, physical, and engineering sciences (2014)
Hassanali AA | Cuny J | Verdolino V | Parrinello M
Journal article
2013
Proton transfer through the water gossamer.
Proceedings of the National Academy of Sciences of the United States of America (2013)
Hassanali A | Giberti F | Cuny J | Kühne TD | Parrinello M
Journal article
2012
Ultrafast dynamics of nonequilibrium electron transfer in photoinduced redox cycle: solvent mediation and conformation flexibility.
The journal of physical chemistry. B (2012)
Kao YT | Guo X | Yang Y | Liu Z | Hassanali A | Song QH | Wang L | Zhong D
Journal article
2012
The fuzzy quantum proton in the hydrogen chloride hydrates.
Journal of the American Chemical Society (2012)
Hassanali AA | Cuny J | Ceriotti M | Pickard CJ | Parrinello M
Journal article
2011
The water-amorphous silica interface: analysis of the Stern layer and surface conduction.
The Journal of chemical physics (2011)
Zhang H | Hassanali AA | Shin YK | Knight C | Singer SJ
Journal article
2011
On the recombination of hydronium and hydroxide ions in water.
Proceedings of the National Academy of Sciences of the United States of America (2011)
Hassanali A | Prakash MK | Eshet H | Parrinello M
Journal article
2011
An AIMD study of CPD repair mechanism in water: role of solvent in ring splitting.
The journal of physical chemistry. B (2011)
Hassanali AA | Zhong D | Singer SJ
Journal article
2011
An AIMD study of the CPD repair mechanism in water: reaction free energy surface and mechanistic implications.
The journal of physical chemistry. B (2011)
Hassanali AA | Zhong D | Singer SJ
Journal article
2010
The Dissociated Amorphous Silica Surface: Model Development and Evaluation.
Journal of chemical theory and computation (2010)
Hassanali AA | Zhang H | Knight C | Shin YK | Singer SJ
Journal article
2008
Origin of slow relaxation following photoexcitation of W7 in myoglobin and the dynamics of its hydration layer.
The journal of physical chemistry. B (2008)
Li T | Hassanali AA | Singer SJ
Journal article
2007
Model for the water-amorphous silica interface: the undissociated surface.
The journal of physical chemistry. B (2007)
Hassanali AA | Singer SJ
Journal article
2007
Hydration dynamics and time scales of coupled water-protein fluctuations.
Journal of the American Chemical Society (2007)
Li T | Hassanali AA | Kao YT | Zhong D | Singer SJ
Journal article
2006
A molecular dynamics study of Lys-Trp-Lys: structure and dynamics in solution following photoexcitation.
The journal of physical chemistry. B (2006)
Hassanali AA | Li T | Zhong D | Singer SJ

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