Dibakar Datta
Associate Professor, Mechanical and Industrial Engr
Graduate Advisor for MS and PhD Program
Graduate Advisor for MS and PhD Program
307 Mechanical Engineering Center (ME)
About Me
Dibakar Datta was born and raised in a remote Indian village. Inspired by his childhood role-model Leonardo Da Vinci, he studied various subjects in different places across India, Spain, France, and United States. He is currently a tenured associate professor of Mechanics at the New Jersey Institute of Technology (NJIT), New Jersey, USA. Dr. Datta completed his Ph.D. at Brown University (major : Mechanics of Solids & Structures , minors : Physics & Chemistry ). While at Brown, he was also a visiting researcher at The Department of Materials Science and Engineering, The University of Pennsylvania, Philadelphia, USA. He got an opportunity for his postdoctoral training at Stanford University in Mechanics and Computation.
The 2016 Nobel Prize in Physics winner Prof. Kosterlitz served as his Ph.D. qualifier examiner. The 2019 Nobel Prize in Chemistry winner Prof. Whittingham cited his group’s paper.
Dibakar Datta won prestigious awards such as The President of India Gold Medal (2006), European Commission Fellowship (2008), US National Science Foundation CAREER Award (2023).
The 2016 Nobel Prize in Physics winner Prof. Kosterlitz served as his Ph.D. qualifier examiner. The 2019 Nobel Prize in Chemistry winner Prof. Whittingham cited his group’s paper.
Dibakar Datta won prestigious awards such as The President of India Gold Medal (2006), European Commission Fellowship (2008), US National Science Foundation CAREER Award (2023).
Education
Visiting PhD Scholar
; University of Pennsylvania
; Materials Science and Engineering
; 2015
Ph.D. ; Brown University ; Mechanics of Solids and Structures ; 2015
Research Intern ; Électricité de France ; Software Engineering ; 2010
M.S. ; École Centrale de Nantes (ECN) ; Computational Mechanics ; 2010
M.S. ; Universitat Politècnica de Catalunya ; Computational Mechanics ; 2009
M.E. ; Indian Institute of Science (IISc) ; Structural Engineering ; 2008
B.E. ; Indian Institute of Engineering Science and Technology (IIEST) ; Civil Engineering ; 2006
Ph.D. ; Brown University ; Mechanics of Solids and Structures ; 2015
Research Intern ; Électricité de France ; Software Engineering ; 2010
M.S. ; École Centrale de Nantes (ECN) ; Computational Mechanics ; 2010
M.S. ; Universitat Politècnica de Catalunya ; Computational Mechanics ; 2009
M.E. ; Indian Institute of Science (IISc) ; Structural Engineering ; 2008
B.E. ; Indian Institute of Engineering Science and Technology (IIEST) ; Civil Engineering ; 2006
Website
2025 Fall Courses
MTSE 792B - PRE-DOCTORAL RESEARCH
ME 725 - INDEPENDENT STUDY I
MTSE 790A - DOCTORAL DISSERTATION
ME 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
ME 312 - THERMODYNAMICS II
ME 701B - MASTER'S THESIS
ME 701C - MASTER'S THESIS
ME 726 - INDEPENDENT STUDY II
ME 790A - DOC DISSERTATION & RES
ME 311 - THERMODYNAMICS I
ME 490 - MECH ENGR PROJECT A
ME 725 - INDEPENDENT STUDY I
MTSE 790A - DOCTORAL DISSERTATION
ME 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
ME 312 - THERMODYNAMICS II
ME 701B - MASTER'S THESIS
ME 701C - MASTER'S THESIS
ME 726 - INDEPENDENT STUDY II
ME 790A - DOC DISSERTATION & RES
ME 311 - THERMODYNAMICS I
ME 490 - MECH ENGR PROJECT A
Teaching Interests
I teach Thermodynamics, Atomistic/Molecular Dynamics. So far, I have taught these courses.
Thermodynamics II: Fall 2016, Spring 2017, Fall 2017, Spring 2018, Spring 2019, Fall 2023, Spring 2024, Fall 2024
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022, Spring 2023, Fall 2023, Spring 2024, Fall 2024
In future, I wish to offer a SEPARATE course on Machine Learning, Molecular Dynamics, DFT, and Kinetic Monte Carlo.
I am also interested in teaching fundamental mechanics courses.
Thermodynamics II: Fall 2016, Spring 2017, Fall 2017, Spring 2018, Spring 2019, Fall 2023, Spring 2024, Fall 2024
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022, Spring 2023, Fall 2023, Spring 2024, Fall 2024
In future, I wish to offer a SEPARATE course on Machine Learning, Molecular Dynamics, DFT, and Kinetic Monte Carlo.
I am also interested in teaching fundamental mechanics courses.
Past Courses
ME 311: THERMODYNAMICS I
ME 312: THERMODYNAMICS II
ME 618: ST: ATOMISTIC & MOLECULAR SIMULATIONS METHODS IN MECHANICS & MATERIALS SCIENCE
ME 618: ST: ATOMISTIC AND MOLECULAR SIMULATIONS METHODS IN MECHANICS AND MATERIALS SCIENCE
ME 791: MECHANICAL ENGINEERING COLLOQUIUM
ME 794: MECHANICAL COLLOQUIUM
ME 312: THERMODYNAMICS II
ME 618: ST: ATOMISTIC & MOLECULAR SIMULATIONS METHODS IN MECHANICS & MATERIALS SCIENCE
ME 618: ST: ATOMISTIC AND MOLECULAR SIMULATIONS METHODS IN MECHANICS AND MATERIALS SCIENCE
ME 791: MECHANICAL ENGINEERING COLLOQUIUM
ME 794: MECHANICAL COLLOQUIUM
Research Interests
Our research focuses on Electro-Chemo-Mechanics of materials for next-generation applications in energy storage, electronics, and multifunctional devices. The question driving our research concentrates on how the structure and chemistry of materials at the atomic/molecular level control their performance in practical applications. To address this, we employ various modeling and simulation methods ranging from Quantum Mechanical Methods (e.g., Density Functional Theory), Molecular Dynamics, Monte Carlo, and Machine Learning, using massively parallel computing facilities.
Journal Article
Kamalika Ghatak, Swastik Basu2 Hemant Kumar, Siva P.V. Nadimpalli, Dibakar Datta.
"Effect of Decreasing Cobalt Content on the Electrochemical Properties and Structural Stability of Li."
.
Lucia Nicola, Gopal Krishna Dixit, Madhav Ranganathan, Nicolas Bertin, Vedran Glavas, Dibakar Datta, others. "Green’s function molecular dynamics: including finite heights, shear, and body fields." .
Yantao Chen, Fei Guo, Ashish Jachak, Sang-Pil Kim, Dibakar Datta, Jingyu Liu, Indrek Kulaots, Charles Vaslet, Hee Dong Jang, Jiaxing Huang, others. "Self-Assembled Graphene Nanosacks." .
Dibakar Datta. "Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials." .
Vidushi Sharma, Dibakar Datta. 2023. "Effects of Graphene Interface on Potassiation in a Graphene--Selenium Heterostructure Cathode for Potassium-Ion Batteries." ACS Appl. Energy Mater. , vol. 6 , no. 16 , pp. 8349--8359.
Lucia Nicola, Gopal Krishna Dixit, Madhav Ranganathan, Nicolas Bertin, Vedran Glavas, Dibakar Datta, others. "Green’s function molecular dynamics: including finite heights, shear, and body fields." .
Yantao Chen, Fei Guo, Ashish Jachak, Sang-Pil Kim, Dibakar Datta, Jingyu Liu, Indrek Kulaots, Charles Vaslet, Hee Dong Jang, Jiaxing Huang, others. "Self-Assembled Graphene Nanosacks." .
Dibakar Datta. "Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials." .
Vidushi Sharma, Dibakar Datta. 2023. "Effects of Graphene Interface on Potassiation in a Graphene--Selenium Heterostructure Cathode for Potassium-Ion Batteries." ACS Appl. Energy Mater. , vol. 6 , no. 16 , pp. 8349--8359.
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Conference Proceeding
"(Invited, Digital Presentation) Understanding Interfacial Chemo-Mechanics of Two-Dimensional Materials-Based Heterogeneous Functional Materials for Energy Storage"
2022.
"Modeling of 2D Layered Materials for Energy Storage: Current Status and Future Directions"
2021.
"Modeling the Interfacial Chemistry of Graphene-Based Composite Electrode Materials for Lithium Ion Battery"
2020.
"Characterizing the Morphology of the Different Grown Homo/Hetero TMD Structures By Controlling Parameters--a Multiscale Computational Approach"
2019.
"Chemo-mechanical modeling of defective graphene for energy storage in Lithium-Ion Battery"
2019.
2022.
"Modeling of 2D Layered Materials for Energy Storage: Current Status and Future Directions"
2021.
"Modeling the Interfacial Chemistry of Graphene-Based Composite Electrode Materials for Lithium Ion Battery"
2020.
"Characterizing the Morphology of the Different Grown Homo/Hetero TMD Structures By Controlling Parameters--a Multiscale Computational Approach"
2019.
"Chemo-mechanical modeling of defective graphene for energy storage in Lithium-Ion Battery"
2019.
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Conference Abstract
"Interface strength of silicon with surface engineered 2D-materials"
Bulletin of the American Physical Society, March, 2021.
"Surface corrugations and layer thickness dependent frictional behavior of MoS2 – A computational study"
Bulletin of the American Physical Society, March, 2021.
Bulletin of the American Physical Society, March, 2021.
"Surface corrugations and layer thickness dependent frictional behavior of MoS2 – A computational study"
Bulletin of the American Physical Society, March, 2021.
Other
"Synthesis, Modelling and Characterization of 2D Materials and their Heterostructures"
Elsevier, 2020.
"A Special Issue on Modeling and nanofabrication of 1D and 2D materials"
Elsevier, 2018.
"Theoretical and Numerical Study of New Non Local Front Damage Model"
Ecole Centrale de Nantes, 2010.
"Theoretical and Numerical Study of New Non Local Front Damage Model"
Ecole Centrale de Nantes, 2010.
Elsevier, 2020.
"A Special Issue on Modeling and nanofabrication of 1D and 2D materials"
Elsevier, 2018.
"Theoretical and Numerical Study of New Non Local Front Damage Model"
Ecole Centrale de Nantes, 2010.
"Theoretical and Numerical Study of New Non Local Front Damage Model"
Ecole Centrale de Nantes, 2010.
Book
Dibakar Datta, Vivek Shenoy.
"Molecular Simulations Methods in Mechanics and Physics ."
2014. ISBN 978-3-659-56515-1.