Dibakar Datta
Assistant Professor, Mechanical and Industrial Engr
307 Mechanical Engineering Center
About Me
I am currently an assistant professor at the MIE department since 2016. I finished my Ph.D. at Brown University and postdoctoral research at Stanford University. I work on computational Nanomechanics and materials.
Education
Ph.D.; Brown University; Philosophy; 2015
M.S.; Universitat Politecnica de Catalunya; Computational Mechanics; 2010
M.S.; Indian Institute of Science; Structural Engineering; 2008
B.S.; Indian Institute of Engineering Science; Civil Engineering; 2006
M.S.; Universitat Politecnica de Catalunya; Computational Mechanics; 2010
M.S.; Indian Institute of Science; Structural Engineering; 2008
B.S.; Indian Institute of Engineering Science; Civil Engineering; 2006
Awards & Honors
2019 Ph.D. student :: Vidushi Sharma won the First Prize in Oral Presentation in International Conference on Functional Nanomaterials, Indian Institute of Technology (IIT), Varanasi, India. , IIT Varanasi, India
Website
2023 Spring Courses
ME 725 - INDEPENDENT STUDY I
ME 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
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 792B - PRE-DOCTORAL RESEARCH
ME 700B - MASTER'S PROJECT
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
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022
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
Atomistic and Molecular Simulations Methods: Fall 2018, Spring 2020
Thermodynamics I: Fall 2020, Spring 2021, Fall 2021, Spring 2022, Fall 2022
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 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 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
Ghatak, Kamalika, & Kumar, Swastik, & Nadimpalli, Siva, & Datta, Dibakar Effect of Decreasing Cobalt Content on the Electrochemical Properties and Structural Stability of Li.
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, Self-Assembled Graphene Nanosacks.
Datta, Dibakar Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials.
Datta, Dibakar, & Sharma, Vidushi (2022). Developing Potential Energy Surfaces for Graphene-based 2D-3D Interfaces from Modified High Dimensional Neural Networks for Applications in Energy Storage. J. Electrochem. En. Conv. Stor., 19(4), 10.
Datta, Dibakar, & Kashyap, Jatin (2022). Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study. Journal of materials science,
Chen, Yantao, & Guo, Fei, & Jachak, Ashish, & Kim, Sang-Pil, & Datta, Dibakar, & Liu, Jingyu, & Kulaots, Indrek, & Vaslet, Charles, & Jang, Hee, & Huang, Jiaxing, & others, Self-Assembled Graphene Nanosacks.
Datta, Dibakar Topics in Mechanics at the Bottom, Energy Storage Systems, and Emerging Nanomaterials.
Datta, Dibakar, & Sharma, Vidushi (2022). Developing Potential Energy Surfaces for Graphene-based 2D-3D Interfaces from Modified High Dimensional Neural Networks for Applications in Energy Storage. J. Electrochem. En. Conv. Stor., 19(4), 10.
Datta, Dibakar, & Kashyap, Jatin (2022). Drug repurposing for SARS-CoV-2: a high-throughput molecular docking, molecular dynamics, machine learning, and DFT study. Journal of materials science,
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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
Conference Proceeding
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
Current Collector Interface for Phase Changing Tin Anode in Sodium Ion Batteries: Insight from First Principles Calculations
2019
Growth Physics of MoS2 Layer on the MoS2 Surface: A Monte Carlo Approach
2019
Surface hydrogenation manipulated mechanical properties of two dimensional carbon nanomaterials
2016
Functionalized Germanene as Emerging Nanomaterials
2014
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
Current Collector Interface for Phase Changing Tin Anode in Sodium Ion Batteries: Insight from First Principles Calculations
2019
Growth Physics of MoS2 Layer on the MoS2 Surface: A Monte Carlo Approach
2019
Surface hydrogenation manipulated mechanical properties of two dimensional carbon nanomaterials
2016
Functionalized Germanene as Emerging Nanomaterials
2014
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
Datta, Dibakar, & Shenoy, Vivek (2014). Molecular Simulations Methods in Mechanics and Physics .