المؤلفون: Krishnendu Ghosh, He Ma, Mykyta Onizhuk, Vikram Gavini, Giulia Galli

المصدر: npj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)

مصطلحات موضوعية: Materials of engineering and construction. Mechanics of materials, TA401-492, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2057-3960

URL الوصول: https://doaj.org/article/abd94666ee6347df980af47e4968085f

المؤلفون: Chih-Chuen Lin, Phani Motamarri, Vikram Gavini

المصدر: npj Computational Materials, Vol 7, Iss 1, Pp 1-9 (2021)

مصطلحات موضوعية: Materials of engineering and construction. Mechanics of materials, TA401-492, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2057-3960

URL الوصول: https://doaj.org/article/1d1eb2237d6040f5bdc9802bc4be6a54

المؤلفون: Bikash Kanungo, Paul M. Zimmerman, Vikram Gavini

المصدر: Nature Communications, Vol 10, Iss 1, Pp 1-9 (2019)

مصطلحات موضوعية: Science

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2041-1723

URL الوصول: https://doaj.org/article/e89c41f32c334fe8bb9303a303e212fd

المؤلفون: Krishnendu Ghosh, He Ma, Mykyta Onizhuk, Vikram Gavini, Giulia Galli

المصدر: npj Computational Materials, Vol 7, Iss 1, Pp 1-1 (2021)

مصطلحات موضوعية: Materials of engineering and construction. Mechanics of materials, TA401-492, Computer software, QA76.75-76.765

وصف الملف: electronic resource

Relation: https://doaj.org/toc/2057-3960

URL الوصول: https://doaj.org/article/6efe3330f6664a6c92ccb60e42f55ac7

المؤلفون: Bikash Kanungo, Aaron D. Kaplan, Chandra Shahi, Vikram Gavini, John P. Perdew

مصطلحات موضوعية: Biophysics, Biochemistry, Neuroscience, Physiology, Biotechnology, Plant Biology, Computational Biology, Environmental Sciences not elsewhere classified, Mathematical Sciences not elsewhere classified, Chemical Sciences not elsewhere classified, Physical Sciences not elsewhere classified, ∼ 30 years, stretched radical bonds, large negative functional, confirms earlier conclusions, 76 barrier heights, 532 − 543, et al, three less reliable, reaction barrier heights, 2 , reaction h, less expensive, work presents, understandable cancellation, transition state, theory comput, strongly boosted, seriously underestimated

Relation: https://figshare.com/articles/journal_contribution/Unconventional_Error_Cancellation_Explains_the_Success_of_Hartree_Fock_Density_Functional_Theory_for_Barrier_Heights/24936971

الاتاحة: https://doi.org/10.1021/acs.jpclett.3c03088.s001
https://figshare.com/articles/journal_contribution/Unconventional_Error_Cancellation_Explains_the_Success_of_Hartree_Fock_Density_Functional_Theory_for_Barrier_Heights/24936971

المؤلفون: Bikash Kanungo (11831233), Paul M. Zimmerman (1275564), Vikram Gavini (1287732)

مصطلحات موضوعية: Biophysics, Molecular Biology, Neuroscience, Physiology, Biotechnology, Ecology, Mental Health, promising new direction, four different bond, density functional theory, much higher errors, satisfying exact conditions, model xc functionals, accurate xc functionals, including nonlocal effects, model xc potentials, exact xc potential, xc functionals, xc potential, relative errors, exact <, work indicates, state densities, problem , lithium hydride, inverse <, best agreement, benzyne 

Relation: https://figshare.com/articles/journal_contribution/A_Comparison_of_Exact_and_Model_Exchange_Correlation_Potentials_for_Molecules/17186899

الاتاحة: https://doi.org/10.1021/acs.jpclett.1c03670.s002

المؤلفون: Bikash Kanungo, Nelson D. Rufus, Vikram Gavini

المصدر: Journal of Chemical Theory and Computation. 19:978-991

مصطلحات موضوعية: Physics - Chemical Physics, Physical and Theoretical Chemistry, Computer Science Applications

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::55fa9d3226a7e031bd270d73273988d0
https://doi.org/10.1021/acs.jctc.2c01052

المؤلفون: He Ma, Vikram Gavini, Krishnendu Ghosh, Mykyta Onizhuk, Giulia Galli

المصدر: npj Computational Materials, Vol 7, Iss 1, Pp 1-8 (2021)

مصطلحات موضوعية: Physics, Quantum dynamics, 02 engineering and technology, Electronic structure, 021001 nanoscience & nanotechnology, 01 natural sciences, Molecular physics, Computer Science Applications, Pseudopotential, QA76.75-76.765, Mechanics of Materials, Modeling and Simulation, 0103 physical sciences, Cluster (physics), TA401-492, General Materials Science, Density functional theory, Computer software, 010306 general physics, 0210 nano-technology, Hyperfine structure, Materials of engineering and construction. Mechanics of materials, Coherence (physics), Spin-½

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6508354bf17d711d14fdf2f348b77ddc
https://doaj.org/article/abd94666ee6347df980af47e4968085f

المؤلفون: Pranav Kumar, Mohit M. Ludhwani, Sambit Das, Vikram Gavini, Anand Kanjarla, Ilaksh Adlakha

المصدر: International Journal of Plasticity. 165:103613

مصطلحات موضوعية: Mechanics of Materials, Mechanical Engineering, General Materials Science

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5dda0dcd4b72729114aa4a9e475d57d3
https://doi.org/10.1016/j.ijplas.2023.103613

المؤلفون: Nelson D. Rufus, Vikram Gavini

المصدر: Physical Review B. 106

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::5c07c423e1680857cce9af168ff2a0aa
https://doi.org/10.1103/physrevb.106.085108

المؤلفون: Haichao Huang, Joseph Sperling, Savvas Polydorides, Alexander Kotlyar, Linda A. Zotti, Spiros S. Skourtis, Georgia Polycarpou, Roman Zhuravel, Phani Motamarri, Juan Carlos Cuevas, Dvir Rotem, Liat Katrivas, Vikram Gavini, Danny Porath

المصدر: Nature Nanotechnology. 15:836-840

مصطلحات موضوعية: Models, Molecular, Materials science, Biomedical Engineering, Metal Nanoparticles, Electrons, Bioengineering, 02 engineering and technology, 010402 general chemistry, 01 natural sciences, chemistry.chemical_compound, Electrical resistance and conductance, Molecule, General Materials Science, Electrical and Electronic Engineering, Base Pairing, Range (particle radiation), Electric Conductivity, Charge (physics), DNA, 021001 nanoscience & nanotechnology, Condensed Matter Physics, Thermal conduction, Atomic and Molecular Physics, and Optics, Nanostructures, 0104 chemical sciences, chemistry, Homogeneous, Chemical physics, Nucleic Acid Conformation, Gold, Electronics, 0210 nano-technology, Dimerization, Double stranded

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b07d647eb8eaa790d9b6d1bf8d2b741b
https://doi.org/10.1038/s41565-020-0741-2

المؤلفون: Sambit Das, Vikram Gavini

مصطلحات موضوعية: Condensed Matter - Materials Science, Materials Science (cond-mat.mtrl-sci), FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::26c4e9b634050f43f7ea1a2f2b68d627

المؤلفون: Sambit Das, Phani Motamarri, Vishal Subramanian, David M. Rogers, Vikram Gavini

مصطلحات موضوعية: Hardware and Architecture, General Physics and Astronomy, FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::12de233e3ac071276bdfcf0d5e42360d

المؤلفون: Bikash Kanungo, Paul M. Zimmerman, Vikram Gavini

المصدر: The journal of physical chemistry letters. 12(50)

مصطلحات موضوعية: General Materials Science, Physical and Theoretical Chemistry

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::458c7a8ec4c413243c33fa344cc462ac
https://pubmed.ncbi.nlm.nih.gov/34898217

المؤلفون: Krishna Garikipati, Anton Van der Ven, Vikram Gavini, Chirranjeevi Gopal, Muratahan Aykol, Sambit Das, Anirudh Natarajan, Gregory Teichert

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::09ecf09b95d34aa200614e8a4751cee7
https://doi.org/10.26226/morressier.612f6735bc98103724100778

المؤلفون: Lulu Yao, Sambit Das, Xin Liu, Kai Wu, Yonghong Cheng, Vikram Gavini, Bing Xiao

المصدر: Journal of Physics D: Applied Physics. 55:455501

مصطلحات موضوعية: Acoustics and Ultrasonics, Condensed Matter Physics, Surfaces, Coatings and Films, Electronic, Optical and Magnetic Materials

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::f049e6c7767428f17eae21639823f134
https://doi.org/10.1088/1361-6463/ac8f55

المؤلفون: Vikram Gavini, Nelson David Rufus, Bikash Kanungo

المصدر: Physical Review B. 104

مصطلحات موضوعية: Physics, Chebyshev polynomials, Speedup, Mathematical analysis, FOS: Physical sciences, Block matrix, Basis function, Density functional theory, Computational Physics (physics.comp-ph), Physics - Computational Physics, Orthogonalization, Eigenvalues and eigenvectors, Finite element method

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b4fae0f71efa9f3242337374f7eab3f4
https://doi.org/10.1103/physrevb.104.085112

المؤلفون: Chih-Chuen Lin, Vikram Gavini

مصطلحات موضوعية: Hardware and Architecture, MathematicsofComputing_NUMERICALANALYSIS, Physics::Atomic and Molecular Clusters, General Physics and Astronomy, FOS: Physical sciences, Computational Physics (physics.comp-ph), Physics - Computational Physics

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d061b6ebcd4a0d95d2d83020f0f13068

المؤلفون: Yintao Song, Richard D. James, Xian Chen, Colin Ophus, Vikram Gavini, Jim Ciston, Andrew M. Minor, Sambit Das, Chengyu Song, Yuriy Chumlyakov

المصدر: Physical Review Materials. 4

مصطلحات موضوعية: Materials science, Physics and Astronomy (miscellaneous), 02 engineering and technology, Shape-memory alloy, 021001 nanoscience & nanotechnology, 01 natural sciences, Engineering physics, Niti alloy, Transformation (function), Nickel titanium, Diffusionless transformation, 0103 physical sciences, General Materials Science, Involution (philosophy), 010306 general physics, 0210 nano-technology

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::ff876a552ec2c0a0ad464545721233dd
https://doi.org/10.1103/physrevmaterials.4.103611

المؤلفون: Vikram Gavini, Shen Yan, Zhaxylyk A. Kudyshev, Edgar Meyhofer, Andrea Vezzoli, Pramod Reddy, Linxiao Zhu, Alexandra Boltasseva, Kun Wang, Simon J. Higgins, Harsha Reddy, Vladimir M. Shalaev

المصدر: SCIENCE

مصطلحات موضوعية: Multidisciplinary, Materials science, Nanostructure, Band gap, business.industry, Nanophotonics, Photodetector, Physics::Optics, Surface plasmon polariton, Condensed Matter::Materials Science, Optoelectronics, Landau damping, business, Nanoscopic scale, Plasmon

وصف الملف: application/vnd.openxmlformats-officedocument.wordprocessingml.document

URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d9932a17c6eadd3cdbb58caca70e609e