JARVIS

Outreach

NIST Accolade award for JARVIS-FF and JARVIS-DFT, June 6, 2017

JARVIS-FF is listed as a Pre/post tool for LAMMPS .

JARVIS-DFT and JARVIS-FF will be integrated in Materials-project user contribution platform (MPContribs) soon.

JARVIS-DFT and JARVIS-FF are integrated in the Materials data facility (MDF).

JARVIS-DFT, FF and ML are integrated in the Materials resource registry.

Find JARVIS-DFT adn ML related data in the Matminer.

Register for the AIMS 2019 workshop.

Presentations

1) K. Choudhary, Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface, NIST Sigma Xi poster presentation, April 20, 2016, NIST, Gaithersburg, Maryland.

2) K. Choudhary, Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface, LAMMPS tutorial and Materials Simulation Symposium, August 15-19, 2016, Temple University, Philadelphia, Pennsylvania.

3) K Choudhary, High-throughput Density Functional Theory for Optoelectronic Materials, Evaluation of Force-Fields and Machine Learning, NIST Baglunch Seminar, Feb 22, 2017, Gaithersburg, Maryland.

4) K. Choudhary, Computational Discovery of Two-Dimensional Materials, Evaluation of Force-Fields and Machine Learning, Group Seminar, Kieron Burke, Feb 28, 2017, University of California, Irvine.

5) K. Choudhary, High-throughput Characterization of Materials using Molecular-Dynamics and Density functional theory, March 21, 2017, Wright State University and Air-force research lab (AFRL), HPC Enabled Data Analytics Workshop, Dayton, Ohio (Invited) .

6) K. Choudhary, Evaluation and comparison of classical interatomic potentials through a user-friendly interactive web-interface, The Minerals, Metals & Materials Society (TMS), March 1, 2017, San Diego, California.

7) K. Choudhary, Structural and Vibrational Properties of MoTe2 Polymorph and JARVIS database, The Minerals, Metals & Materials Society (TMS), March 1, 2017, San Diego, California.

8) K Choudhary, Computational Discovery of Two-Dimensional Materials, Evaluation of Force-Fields and Machine Learning , Northwestern University, CHIMAD Seminar, May 19, 2017, Evanston, Illinois (Invited).

9) K. Choudhary, Computational Discovery of Two-Dimensional Materials, Evaluation of Force-Fields and Machine Learning, Integrated Computational Materials Engineering, May 24, 2017, Ypsilanti, Michigan.

10) K. Choudhary, High-throughput Identification and Characterization of Two-dimensional Materials using Density functional theory, Graphene and Beyond , May 9-12, 2017, Penn State University, Pennsylvania.

11) K. Choudhary, High-throughput Identification and Characterization of Two-dimensional Materials Using Density Functional Theory, Annual Workshop on Recent Developments in Electronic Structure Methods, Poster presentation, June 25, 2017, Princeton University, Princeton, New Jersey.

12) K. Choudhary, Computational Discovery of Two-Dimensional Materials, Society for Industrial and Applied Mathematics (SIAM), July 12, 2017, Pittsburg, Pennsylvania (Invited).

13) K. Choudhary, High-throughput Identification and Characterization of Two-dimensional Materials Using Density Functional Theory, American Chemical Society, August 20, 2017, Washington D.C.

14) K. Choushary, Classical Force-field and Quantum Density Functional Theory Database, Applied Crystallography , October 16, 2017, Chicago (Invited).

15) K. Choudhary, High-throughput Identification and Characterization of Two-dimensional Materials Using Density Functional Theory, Materials Sciece and Technology (MS & T), October 09, 2017.

16) K. Choudhary, High-throughput Identification and Characterization of Two-dimensional Materials Using Density Functional Theory, Energy Materials, December 06, 2017, Dallas (Invited).

17) F. Tavazza, UQ associated to controlled approximations in DFT, Institute for Pure and Applied Mathematics, October 1, 2017, UCLA.

18) K. Choudhary, Towards Efficient Optoelectronic Material Design using Density Functional Theory, Experiments and Machine Learning, Electronic and Advanced Materials (American Ceramic Society), Jan. 19, 2018, Orlando.

19) K. Choudhary, Computational Screening of Novel Two-dimensional Topological Insulators and Layer-dependent Properties, TMS, Mar. 12, 2018, Phoenix, AZ.

20) K. Choudhary, High-throughput Evaluation and Comparison of Classical Interatomic-potentials: Structural, Elastic, Defect, Surface and Phonon Properties (TMS), Mar. 13, 2018, Phoenix, AZ.

21) K. Choudhary, Utilizing Error in First-principle Lattice Constants to Discover Novel Low-dimensional Materials (TMS), Mar. 15, 2018, Phoenix, AZ.

22) K. Choudhary, Joint Automated Repository for Various Integrated Simulations, Mar. 16, 2018, Google Inc., 2018, California.

23) K. Choudhary, Joint Automated Repository for Various Integrated Simulations, Mar. 19, 2018, Citrine Informatics, 2018, California.

24) K Choudhary, Physics inspired artificial intelligence/machine learning , Google:DevFestDC, June 08, 2018, Virginia.

25) F. Tavazza, Novel NIST databases to aid Material Discovery, July 30, 2018, WCCM, 2018, New York.

26) K. Choudhary, 2D/3D materials screening and genetic algorithm with ML model,August 02, 2018, University of Maryland, MLMR, 2018.

27) K Choudhary, 2D/3D materials screening and genetic algorithm with ML model, AIMS workshop, August 07, 2018, NIST, Maryland.

28) K. Choudhary, Accelerated Materials Discovery & Characterization with Quantum and Machine learning approaches, PARADIM, Johns Hopkins Univ., Nov. 14, 2018.

29) K. Choudhary, Accelerated Materials Discovery & Characterization with Quantum and Machine learning approaches, IIT BHU, Nov. 19, 2018.

30) K. Choudhary, Machine learning with force-field-inspired descriptors for materials: Fast screening and mapping energy landscape, MRS, Boston, Nov 20, 2018.

31) K. Choudhary, Database of Topological Materials & Spin-orbit Spillage , APS, Boston, Nov 30, 2018.

32) K. Choudhary, Computational Database of 3D and 2D materials, TMS, San Antonio, Mar.11, 2019.

33) K. Choudhary, Unified Machine-learning Models for Materials: Crystals, Surfaces, Molecules, Proteins, TMS, San Antonio, Mar.14, 2019.

34) F. Tavazza, Elastic Properties of Bulk and Low-dimensional Materials Using DFT with Van Der Waals Functional, TMS, San Antonio, Mar.11, 2019.



More details coming soon !

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