Narayana Aluru

2023

Yechan Noh, and N. R. Aluru (2023): Activation of Atomic Transport via Vibrational Coupling-Induced Force Fluctuations, Applied Physics Letters, AIP Publishing, Vol 123, Num 9

2022

Xiaowei Jiang, Chunxiao Zhao, Yechan Noh, Yang Xu, Yuang Chen, Fanfan Chen, Laipeng Ma, Wencai Ren, Narayana R. Aluru, and Jiandong Feng (2022): Nonlinear Electrohydrodynamic Ion Transport in Graphene Nanopores, Science Advances, American Association for the Advancement of Science (AAAS), Vol 8, Num 2
Pikee Priya, Thanh C. Nguyen, Anshul Saxena, and Narayana R. Aluru (2022): Machine Learning Assisted Screening of Two-Dimensional Materials for Water Desalination, ACS Nano, American Chemical Society (ACS), Vol 16, Num 2, pp1929--1939

2021

Pikee Priya and N.R. Aluru (2021): A multiscale framework to predict electrochemical characteristics of yttrium doped Barium Zirconate based solid oxide cells, Journal of Power Sources, Elsevier B.V., Vol 481, pp228969
Pikee Priya, and N. R. Aluru (2021): Accelerated Design and Discovery of Perovskites with High Conductivity for Energy Applications Through Machine Learning, npj Computational Materials, Springer Science and Business Media LLC, Vol 7, Num 1
Amir Taqieddin, and N. R. Aluru (2021): Electronic Structure and Transport in Graphene Nanoribbon Heterojunctions Under Uniaxial Strain: Implications for Flexible Electronics, ACS Applied Nano Materials, American Chemical Society (ACS), Vol 4, Num 6, pp5816--5824
Mohammad Heiranian, Yechan Noh, and Narayana R. Aluru (2021): Dynamic and Weak Electric Double Layers in Ultrathin Nanopores, The Journal of Chemical Physics, AIP Publishing, Vol 154, Num 13, pp134703
Yechan Noh, and N. R. Aluru (2021): Phonon-Fluid Coupling Enhanced Water Desalination in Flexible Two-Dimensional Porous Membranes, Nano Letters, American Chemical Society (ACS), Vol 22, Num 1, pp419--425
Ting Chen, Yuhang Jing, Lawrence O. Anderson, Kwati Leonard, Hiroshige Matsumoto, Narayana Aluru, and Nicola H. Perry (2021): Toward Durable Protonic Ceramic Cells: Hydration-Induced Chemical Expansion Correlates with Symmetry in the Y-Doped BaZrO$\less$sub$\greater$3$\less$/sub$\greater$-BaCeO$\less$sub$\greater$3$\less$/sub$\greater$ Solid Solution, The Journal of Physical Chemistry C, American Chemical Society (ACS), Vol 125, Num 47, pp26216--26228
Ze Zhang, Archith Rayabharam, Joel Martis, Hao-Kun Li, Narayana R. Aluru, and Arun Majumdar (2021): Prospects for Sub-Nanometer Scale Imaging of Optical Phenomena Using Electron Microscopy, Applied Physics Letters, AIP Publishing, Vol 118, Num 3, pp033104
Chullhee Cho, Joeson Wong, Amir Taqieddin, Souvik Biswas, Narayana R. Aluru, SungWoo Nam, and Harry A. Atwater (2021): Highly Strain-Tunable Interlayer Excitons in MoS$\less$sub$\greater$2$\less$/sub$\greater$/WSe$\less$sub$\greater$2$\less$/sub$\greater$ Heterobilayers, Nano Letters, American Chemical Society (ACS), Vol 21, Num 9, pp3956--3964

2020

Yuhang Jing and N. R. Aluru (2020): The role of A-site ion on proton diffusion in perovskite oxides (ABO3), Journal of Power Sources, Elsevier B.V., Vol 445, pp227327
Mohammad Heiranian and Narayana R. Aluru (2020): Nanofluidic Transport Theory with Enhancement Factors Approaching One, ACS Nano, American Chemical Society, Vol 14, Num 1, pp272-281
Amir Taqieddin, Mohammad Heiranian, and Narayana R. Aluru (2020): Interfacial Properties of Water on Hydrogenated and Fluorinated Graphene Surfaces: Parametrization of Nonbonded Interactions, Journal of Physical Chemistry C, American Chemical Society, Vol 124, Num 39, pp21467-21475
Yechan Noh and Narayana R. Aluru (2020): Ion Transport in Electrically Imperfect Nanopores, ACS Nano, American Chemical Society, Vol 14, Num 8, pp10518-10526
Mohammad H. Motevaselian and Narayana R. Aluru (2020): Confinement-Induced Enhancement of Parallel Dielectric Permittivity: Super Permittivity Under Extreme Confinement, Journal of Physical Chemistry Letters, American Chemical Society, Vol 11, Num 24, pp10532-10537
Changsoon Choi, Juyoung Leem, Min Sung Kim, Amir Taqieddin, Chullhee Cho, Kyoung Won Cho, Gil Ju Lee, Hyojin Seung, Hyung Jong Bae, Young Min Song, Taeghwan Hyeon, Narayana R. Aluru, SungWoo Nam, and Dae-Hyeong Kim (2020): Curved neuromorphic image sensor array using a MoS2-organic heterostructure inspired by the human visual recognition system, Nature Communications, Springer Nature Limited, Vol 11, Num 1, pp5934
Mohammad Heiranian, Amir Taqieddin, and Narayana R. Aluru (2020): Revisiting Sampson's theory for hydrodynamic transport in ultrathin nanopores, Physical Review Research, American Physical Society, Vol 2, Num 4, pp043153
Shan Zhou, Kaustubh S. Panse, Mohammad Hossein Motevaselian, Narayana R. Aluru, and Yingjie Zhang (2020): Three-Dimensional Molecular Mapping of Ionic Liquids at Electrified Interfaces, ACS Nano, American Chemical Society, Vol 14, Num 12, pp17515-17523

2019

Alireza Moradzadeh and Narayana R. Aluru (2019): Transfer-Learning-Based Coarse-Graining Method for Simple Fluids: Toward Deep Inverse Liquid-State Theory, Journal of Physical Chemistry Letters, Vol 10, Num 6, pp1242-1250
Yun-Chiao Yao, Amir Taqieddin, Mohammad A. Alibakhshi, Meni Wanunu, Narayana R. Aluru, and Aleksandr Noy (2019): Strong Electroosmotic Coupling Dominates Ion Conductance of 1.5 nm Diameter Carbon Nanotube Porins, ACS Nano, American Chemical Society, Vol 13, Num 11, pp12851-12859
Bin Ouyang, Tanmoy Chakraborty, Namhoon Kim, Nicola H. Perry, Tim Mueller, Narayana R. Aluru, and Elif Ertekin (2019): Cluster Expansion Framework for the Sr(Ti1-xFex)O3-x/2 (0 < x < 1) Mixed Ionic Electronic Conductor: Properties Based on Realistic Configurations, Chemistry of Materials, American Chemical Society, Vol 31, Num 9, pp3144-3153

2018

Amir Barati Farimani, Mohammad Heiranian, and Narayana R. Aluru (2018): Identification of Amino Acids with Sensitive Nanoporous MoS2: Towards Machine Learning-Based Prediction, npj 2D Materials and Applications, Springer Nature, Vol 2, Num 1, pp14
Alireza Moradzadeh, Mohammad H. Motevaselian, Sikandar Y. Mashayak, and Narayana R. Aluru (2018): Coarse-Grained Force Field for Imidazolium-Based Ionic Liquids, Journal of Chemical Theory and Computation, American Chemical Society (ACS), Vol 14, Num 6, pp3252-3261
Hongwei Niu, Yuhang Jing, Yi Sun, and Narayana R. Aluru (2018): Ab Initio Based Interionic Potential for Silver Iodide, Solid State Ionics, Elsevier BV, Vol 325, pp102-111
Yingjie Zhang, Mohammad Heiranian, Blanka Janicek, Zoe Budrikis, Stefano Zapperi, Pinshane Y. Huang, Harley T. Johnson, Narayana R. Aluru, Joseph W. Lyding, and Nadya Mason (2018): Strain Modulation of Graphene by Nanoscale Substrate Curvatures: A Molecular View, Nano Letters, American Chemical Society, Vol 18, Num 3, pp2098-2104
Yuhang Jing, Hiroshige Matsumoto, and Narayana R. Aluru (2018): Mechanistic Insights Into Hydration of Solid Oxides, Chemistry of Materials, American Chemical Society, Vol 30, Num 1, pp138-144

2017

Amir Barati Farimani, Mohammad Heiranian, Kyoungmin Min, and Narayana R. Aluru (2017): Antibody Subclass Detection Using Graphene Nanopores, Journal of Physical Chemistry Letters, American Chemical Society, Vol 8, Num 7, pp1670-1676
Amir Barati Farimani, Payam Dibaeinia, and Narayana R. Aluru (2017): DNA Origami-Graphene Hybrid Nanopore for DNA Detection, ACS Applied Materials & Interfaces, American Chemical Society, Vol 9, Num 1, pp92-100

2016

Jiandong Feng, Michael Graf, Ke Liu, Dmitry Ovchinnikov, Dumitru Dumcenco, Mohammad Heiranian, Vishal Nandigana, Narayana R. Aluru, Andras Kis, and Aleksandra Radenovic (2016): Single-Layer MoS2 Nanopores as Nanopower Generators, Nature, Springer Nature, Vol 536, Num 7615, pp197--200
Amir Barati Farimani, Mohammad Heiranian, and Narayana R. Aluru (2016): Nano-Electro-Mechanical Pump: Giant Pumping of Water in Carbon Nanotubes, Scientific Reports, Springer Nature, Vol 6, Num 1
Ali Ashraf, Yanbin Wu, Michael Cai Wang, Keong Yong, Tao Sun, Yuhang Jing, Richard T. Haasch, Narayana R. Aluru, and SungWoo Nam (2016): Doping-Induced Tunable Wettability and Adhesion of Graphene, Nano Letters, American Chemical Society, Vol 16, Num 7, pp4708-4712
Amir Barati Farimani and Narayana R. Aluru (2016): Existence of Multiple Phases of Water at Nanotube Interfaces, Journal of Physical Chemistry C, American Chemical Society, Vol 120, Num 41, pp23763-23771
Yanbin Wu, Lucas K. Wagner, and Narayana R. Aluru (2016): Hexagonal Boron Nitride and Water Interaction Parameters, Journal of Chemical Physics, AIP Publishing, Vol 144, Num 16, pp164118

2015

Mohammad Heiranian, Amir Barati Farimani, and Narayana R. Aluru (2015): Water Desalination with a Single-Layer MoS2 Nanopore, Nature Communications, Springer Nature, Vol 6, pp8616
Yanbin Wu, Lucas K. Wagner, and Narayana R. Aluru (2015): The Interaction Between Hexagonal Boron Nitride and Water from First Principles, Journal of Chemical Physics, AIP Publishing, Vol 142, Num 23, pp234702
A. Barati Farimani, M. Heiranian, and N. R. Aluru (2015): Electromechanical Signatures for DNA Sequencing Through a Mechanosensitive Nanopore.., Journal of Physical Chemistry Letters, American Chemical Society, Vol 6, Num 4, pp650-657

2014

Amir Barati Farimani, Kyoungmin Min, and Narayana R. Aluru (2014): DNA Base Detection Using a Single-Layer MoS2, ACS Nano, American Chemical Society, Vol 8, Num 8, pp7914-7922

2019

Narayana R. Aluru (2019): The Mechanism of Proton Diffusion in ABO3 Perovskite Oxides, 2019 Blue Waters Annual Report, pp120-121
Narayana R. Aluru (2019): Identification of Amino Acids with Sensitive Nanoporous MoS2: Toward Machine Learning-Based Prediction, 2019 Blue Waters Annual Report, pp122-123

2018

Narayana Aluru (2018): Mechanistic Insights into Hydration of Solid Oxides, 2018 Blue Waters Annual Report, pp164-165
Narayana Aluru (2018): Coarse-Grained Force Field for Ionic Liquids, 2018 Blue Waters Annual Report, pp160-161
Ahmed Taha, Seid Koric, Sudhakar Parmidighantam, Narayan Aluru, Gabrielle Allen, Ashraf Idkaidek, Shantanu Shahane, Fereshteh A. Sabet, Ethan Shapera (2018): Advanced Digital Technology for Materials and Manufacturing, 2018 Blue Waters Annual Report, pp116-117

2017

Narayana Aluru (2017): Detection of Antibody Subclasses Using a Nanoporous Single-layer Graphene, Blue Waters annual-book summary slide
Narayana Aluru (2017): Study of DIBs with Functional Channels, 2017 Blue Waters Annual Report, pp108-109

2016

2015

Narayana Aluru (2015): Large-Scale Simulations of Biological–Synthetic Interface Materials for Sensing Applications, 2015 Blue Waters Annual Report, pp70-71

NCSA Grants $2.6M in Blue Waters Awards to Illinois Researchers


Jul 6, 2017

The National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign has awarded 3,697,000 node hours (NH) of time on the Blue Waters supercomputer to Illinois researchers from Spring 2017 proposal submissions. The combined value of these awards is over $2.6 million dollars, and through the life of the Blue Waters program, NCSA has awarded over 43 million node hours to UI researchers—a value of nearly $27 million. Some of the time allocated for Blue Waters will go to projects that focus on HIV research, Laser Interferometer Gravitational-Wave Observatory (LIGO) simulations, genomics and global warming research.


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Single-atom-thick sheets efficiently extract electricity from salt water


Jul 21, 2016

It's possible to generate energy using nothing but the difference between fresh and salt water. When fresh and salt water are separated by a membrane that blocks the passage of certain ions, there is a force that drives the freshwater into the salt water to even out the salt concentration. That force can be harvested to produce energy, an approach termed "osmotic power."


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Osmotic power breakthrough could be the next major renewable energy


Jul 14, 2016

As a concept, osmotic power is simple, in that fresh water is put in contact with salt water through an ultra-slim membrane. When this occurs, the salt ions in the salt water travel through the membrane until the concentrations of salt in both liquids reach equilibrium, entering the state of osmosis. These salt ions, which contain an electrical charge, can then be harvested to create usable electricity for the wider grid.


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New material for water desalination


Dec 2, 2015

Engineers at the University of Illinois have developed an energy efficient material for desalinating seawater. The research team used nanometre-thick sheet of molybdenum disulphide (MoS2) riddled with nanopores and successfully designed a material that can let through high volumes of water but keep salt and other contaminates out. “Finding materials for efficient desalination has been a big issue, and I think this work lays the foundation for next-generation materials. These materials are efficient in terms of energy usage and fouling, which are issues that have plagued desalination technology for a long time,” said research leader Professor Narayana Aluru.


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Nanopores could take the salt out of seawater, scientists claim


Nov 12, 2015

A team of U.S. engineers has found a low-cost, energy-efficient material that could remove salt from seawater, which may lead to resolving the ongoing water crisis. The University of Illinois study has found that a nanometer-thick sheet of molybdenum disulfide (MoS2) riddled with tiny holes called nanopores could filter through up to 70 percent more water than other materials. “Even though we have a lot of water on this planet, there is very little that is drinkable. Finding materials for efficient desalination has been a big issue, and I think this work lays the foundation for next-generation materials,” said study leader Narayana Aluru, a professor of mechanical science and engineering in the University of Illinois.


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Nanopores could take the salt out of seawater


Nov 10, 2015

The material, a nanometer-thick sheet of molybdenum disulfide (MoS2) riddled with tiny holes called nanopores, is specially designed to let high volumes of water through but keep salt and other contaminates out, a process called desalination. In a study published in the journal Nature Communications, the Illinois team modeled various thin-film membranes and found that MoS2 showed the greatest efficiency, filtering through up to 70 percent more water than graphene membranes. “Even though we have a lot of water on this planet, there is very little that is drinkable,” said study leader Narayana Aluru, a U. of I. professor of mechanical science and engineering. “If we could find a low-cost, efficient way to purify sea water, we would be making good strides in solving the water crisis.


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17 campus teams to accelerate their research with Blue Waters


Jun 10, 2015

Seventeen U of I research teams from a wide range of disciplines have been awarded computational and data resources on the sustained-petascale Blue Waters supercomputer at NCSA. “These diverse projects highlight the breadth of computational research at the University of Illinois,” said Athol Kemball, associate professor of Astronomy and chair of the Illinois allocation review committee. “Illinois has a tremendous pool of talented researchers in fields from political science to chemistry to engineering who can harness the power of Blue Waters to discover and innovate.”


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New Material Could Enhance Fast And Accurate DNA Sequencing


Aug 17, 2014

Gene-based personalised medicine has many possibilities for diagnosis and targeted therapy, but one big bottleneck: the expensive and time-consuming DNA-sequencing process. Now, researchers at the University of Illinois (U of I) at Urbana-Champaign have found that nanopores in the material molybdenum disulfide (MoS2) could sequence DNA more accurately, quickly and inexpensively than anything yet available. ''One of the big areas in science is to sequence the human genome for under $1,000, the 'genome-at-home,''' said Narayana Aluru, a professor of mechanical science and engineering at the U of I who led the study. ''There is now a hunt to find the right material. We've used MoS2 for other problems, and we thought, why don't we try it and see how it does for DNA sequencing?''

U of I, Great Lakes Consortium award Blue Waters resources to 18 research teams


Apr 10, 2014

Eighteen research teams from a wide range of disciplines have been awarded computational and data resources on the sustained-petascale Blue Waters supercomputer at the National Center for Supercomputing Applications (NCSA) at the University of Illinois at Urbana-Champaign. Blue Waters is one of the world’s most powerful supercomputers, capable of performing quadrillions of calculations every second and working with quadrillions of bytes of data. Its massive scale and balanced architecture enable scientists and engineers to tackle research challenges that could not be addressed with other computing systems.


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22 Illinois projects receive time on Blue Waters


Jun 11, 2013

The University of Illinois at Urbana-Champaign has awarded access to the Blue Waters supercomputer—which is capable of performing quadrillions of calculations every second and of working with quadrillions of bytes of data—to 22 campus research teams from a wide range of disciplines. The computing and data capabilities of Blue Waters, which is operated by the National Center for Supercomputing Applications (NCSA), will assist researchers in their work on understanding DNA, developing biofuels, simulating climate, and more.


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