Niranjan Govind

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All published works

Action	Title	Year	Authors
+ PDF Chat	Polaritonic Chemistry using the Density Matrix Renormalization Group Method	2024	Mikuláš Matoušek Nam Vu Niranjan Govind Jonathan J. Foley Libor Veis
+ PDF Chat	Quantum error mitigation and correction mediated by Yang-Baxter equation and artificial neural network	2024	Sahil Gulania Yuri Alexeev Stephen K. Gray Bo Peng Niranjan Govind
+	<i>G</i><sub>0</sub><i>W</i><sub>0</sub> Ionization Potentials of First-Row Transition Metal Aqua Ions	2023	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa John L. Fulton Edoardo Aprà Niranjan Govind
+ PDF Chat	Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansätze for Hybrid Variational Quantum Computing	2023	Shashank G. Mehendale Bo Peng Niranjan Govind Yuri Alexeev
+	Exploring Parameter Redundancy in the Unitary Coupled-Cluster Ansatze for Hybrid Variational Quantum Computing	2023	Shashank G. Mehendale Bo Peng Niranjan Govind Yuri Alexeev
+	$G_0W_0$ Ionization Potentials of First-Row Transition Metal Aqua Ions	2023	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa Edoardo Aprà Niranjan Govind
+	Hybrid algorithm for the time-dependent Hartree-Fock method using the Yang-Baxter equation on quantum computers	2023	Sahil Gulania Stephen K. Gray Yuri Alexeev Bo Peng Niranjan Govind
+ PDF Chat	QuYBE - An Algebraic Compiler for Quantum Circuit Compression	2022	Sahil Gulania Zichang He Bo Peng Niranjan Govind Yuri Alexeev
+ PDF Chat	Basis Set Selection for Molecular Core-Level <i>GW</i> Calculations	2022	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa Edoardo Aprà Niranjan Govind
+ PDF Chat	Quantum time dynamics employing the Yang-Baxter equation for circuit compression	2022	Bo Peng Sahil Gulania Yuri Alexeev Niranjan Govind
+	QuYBE -- An Algebraic Compiler for Quantum Circuit Compression	2022	Sahil Gulania Zichang He Bo Peng Niranjan Govind Yuri Alexeev
+ PDF Chat	Scalable Molecular GW Calculations: Valence and Core Spectra	2021	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa Edoardo Aprà Niranjan Govind
+ PDF Chat	Quantum time dynamics of 1D-Heisenberg models employing the Yang-Baxter equation for circuit compression	2021	Sahil Gulania Bo Peng Yuri Alexeev Niranjan Govind
+	Scalable Molecular GW Calculations: Valence and Core Spectra	2021	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa Edoardo Aprà Niranjan Govind
+	VQE Method: A Short Survey and Recent Developments	2021	Dmitry A. Fedorov Bo Peng Niranjan Govind Yuri Alexeev
+ PDF Chat	NWChem: Past, present, and future	2020	Edoardo Aprà Eric J. Bylaska Wibe A. de Jong Niranjan Govind Karol Kowalski Tjerk P. Straatsma Marat Valiev Hubertus J. J. van Dam Yuri Alexeev Jonathan S. Anchell
+	A time-dependent density functional theory protocol for resonant inelastic X-ray scattering calculations	2020	Daniel R. Nascimento Elisa Biasin Benjamin I. Poulter Munira Khalil Dimosthenis Sokaras Niranjan Govind
+ PDF Chat	Double core hole valence-to-core x-ray emission spectroscopy: A theoretical exploration using time-dependent density functional theory	2019	Yu Zhang Uwe Bergmann R. W. Schoenlein Munira Khalil Niranjan Govind
+	A Simplified Approach to Simulating Raman Spectra from Ab Initio Molecular Dynamics	2019	Edoardo Aprà Ashish Bhattarai Eric T. Baxter Grant E. Johnson Niranjan Govind Patrick Z. El‐Khoury
+	A Simplified Approach to Simulating Raman Spectra from Ab Initio Molecular Dynamics	2019	Edoardo Aprà Ashish Bhattarai Eric J. Baxter Grant E. Johnson Niranjan Govind Patrick Z. El‐Khoury
+	ISiCLE: A molecular collision cross section calculation pipeline for establishing large in silico reference libraries for compound identification	2018	Sean Colby Dennis Thomas Jamie Nuñez Douglas Baxter Kurt R. Glaesemann Joseph Brown Meg Pirrung Niranjan Govind Justin Teeguarden Thomas Metz
+ PDF Chat	Benchmark results and theoretical treatments for valence-to-core x-ray emission spectroscopy in transition metal compounds	2017	D. R. Mortensen Gerald T. Seidler J. J. Kas Niranjan Govind C. Schwartz Sri Chaitanya Das Pemmaraju David Prendergast
+ PDF Chat	Self-learning kinetic Monte Carlo simulations of Al diffusion in Mg	2016	Giridhar Nandipati Niranjan Govind Amity Andersen Aashish Rohatgi
+ PDF Chat	The role of cytosine methylation on charge transport through a DNA strand	2015	Jianqing Qi Niranjan Govind M. P. Anantram
+ PDF Chat	Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional	2012	Sivan Refaely‐Abramson Sahar Sharifzadeh Niranjan Govind Jochen Autschbach Jeffrey B. Neaton Roi Baer Leeor Kronik
+ PDF Chat	Curvature and Frontier Orbital Energies in Density Functional Theory	2012	Tamar Stein Jochen Autschbach Niranjan Govind Leeor Kronik Roi Baer
+	Curvature and frontier orbital energies in density functional theory	2012	Tamar Stein Jochen Autschbach Niranjan Govind Leeor Kronik Roi Baer
+	Curvature and frontier orbital energies in density functional theory	2012	Leeor Kronik Tamar Stein Jochen Autschbach Niranjan Govind Roi Baer

Common Coauthors

Coauthor	Papers Together
Yuri Alexeev	10
Edoardo Aprà	8
Bo Peng	6
Daniel Mejı́a-Rodrı́guez	6
Sahil Gulania	6
Alexander A. Kunitsa	5
Jochen Autschbach	5
Roi Baer	4
Leeor Kronik	4
Tamar Stein	3
Stephen K. Gray	2
Shashank G. Mehendale	2
Munira Khalil	2
Patrick Z. El‐Khoury	2
Grant E. Johnson	2
Zichang He	2
Kurt R. Glaesemann	2
Daniel R. Nascimento	2
Ashish Bhattarai	2
Douglas Baxter	1
M. Krishnan	1
Sriram Krishnamoorthy	1
Benny G. Johnson	1
J. E. Moore	1
Greg S. Thomas	1
M. P. Anantram	1
Jeffrey C. Becca	1
Herbert Früchtl	1
David E. Bernholdt	1
Hamish Taylor	1
Soumen Ghosh	1
Piotr Borowski	1
Troy Van Voorhis	1
Patrick Nichols	1
Roberto Peverati	1
Jonathan S. Anchell	1
Robert J. Harrison	1
Vinod Tipparaju	1
C. Schwartz	1
Fredy Aquino	1
Alberto Otero‐de‐la‐Roza	1
Victor Anisimov	1
Miles J.O. Deegan	1
Thomas Metz	1
Wibe A. de Jong	1
D. Silverstein	1
Rika Kobayashi	1
Kenneth G. Dyall	1
Tjerk P. Straatsma	1
Jiří Brabec	1

Commonly Cited References

Action	Title	Year	Authors	# of times referenced
+ PDF Chat	NWChem: Past, present, and future	2020	Edoardo Aprà Eric J. Bylaska Wibe A. de Jong Niranjan Govind Karol Kowalski Tjerk P. Straatsma Marat Valiev Hubertus J. J. van Dam Yuri Alexeev Jonathan S. Anchell	5
+ PDF Chat	Accurate Absolute and Relative Core-Level Binding Energies from <i>GW</i>	2020	Dorothea Golze Levi Keller Patrick Rinke	4
+ PDF Chat	Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional	2012	Sivan Refaely‐Abramson Sahar Sharifzadeh Niranjan Govind Jochen Autschbach Jeffrey B. Neaton Roi Baer Leeor Kronik	3
+ PDF Chat	Unified description of ground and excited states of finite systems: The self-consistent<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>approach	2012	Fabio Caruso Patrick Rinke Xinguo Ren Matthias Scheffler Ángel Rubio	3
+ PDF Chat	QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials	2009	Paolo Giannozzi Stefano Baroni Nicola Bonini Matteo Calandra Roberto Car Carlo Cavazzoni Davide Ceresoli G. Chiarotti Matteo Cococcioni Ismaïla Dabo	3
+ PDF Chat	Scalable Molecular GW Calculations: Valence and Core Spectra	2021	Daniel Mejı́a-Rodrı́guez Alexander A. Kunitsa Edoardo Aprà Niranjan Govind	3
+ PDF Chat	BerkeleyGW: A massively parallel computer package for the calculation of the quasiparticle and optical properties of materials and nanostructures	2011	Jack Deslippe Ge. G. Samsonidze David A. Strubbe Manish Jain Marvin L. Cohen Steven G. Louie	3
+ PDF Chat	The<b><i>GW</i></b>method	1998	F. Aryasetiawan O. Gunnarsson	2
+	Recent developments in the P<scp>y</scp>SCF program package	2020	Qiming Sun Xing Zhang Samragni Banerjee Peng Bao Marc Barbry Nick S. Blunt Nikolay A. Bogdanov George H. Booth Jia Chen Zhi‐Hao Cui	2
+	Low-Scaling <i>GW</i> with Benchmark Accuracy and Application to Phosphorene Nanosheets	2021	Jan Wilhelm Patrick Seewald Dorothea Golze	2
+	Questaal: A package of electronic structure methods based on the linear muffin-tin orbital technique	2019	Dimitar Pashov Swagata Acharya Walter R. L. Lambrecht J Jackson K. D. Belashchenko A. N. Chantis François Jamet Mark van Schilfgaarde	2
+	Exact parameterization of fermionic wave functions via unitary coupled cluster theory	2019	Francesco A. Evangelista Garnet Kin‐Lic Chan Gustavo E. Scuseria	2
+ PDF Chat	Low-Order Scaling <i>G</i><sub>0</sub><i>W</i><sub>0</sub> by Pair Atomic Density Fitting	2020	A. Förster Lucas Visscher	2
+ PDF Chat	Meta-GGA performance in solids at almost GGA cost	2020	Daniel Mejı́a-Rodrı́guez S. B. Trickey	2
+ PDF Chat	Quantum Computing in the NISQ era and beyond	2018	John Preskill	2
+ PDF Chat	Resolution-of-identity approach to Hartree–Fock, hybrid density functionals, RPA, MP2 and<i>GW</i>with numeric atom-centered orbital basis functions	2012	Xinguo Ren Patrick Rinke Volker Blüm Jürgen Wieferink Alexandre Tkatchenko Andrea G. Sanfilippo Karsten Reuter Matthias Scheffler	2
+ PDF Chat	Qubit Coupled Cluster Method: A Systematic Approach to Quantum Chemistry on a Quantum Computer	2018	Ilya G. Ryabinkin Tzu-Ching Yen Scott N. Genin Artur F. Izmaylov	2
+	Yang–Baxter equations and quantum entanglements	2014	Mo‐Lin Ge Kang Xue Ruo-Yang Zhang Qing Zhao	2
+ PDF Chat	yambo: An ab initio tool for excited state calculations	2009	Andrea Marini Conor Hogan Myrta Grüning Daniele Varsano	2
+	Large Scale GW Calculations	2015	Marco Govoni Giulia Galli	2
+	A Simplex Method for Function Minimization	1965	J. A. Nelder R. Mead	2
+ PDF Chat	Hardware-efficient variational quantum eigensolver for small molecules and quantum magnets	2017	Abhinav Kandala Antonio Mezzacapo Kristan Temme Maika Takita Markus Brink Jerry M. Chow Jay Gambetta	2
+ PDF Chat	Complete Basis Set Extrapolation of Electronic Correlation Energies Using the Riemann Zeta Function	2019	Michał Lesiuk Bogumił Jeziorski	2
+ PDF Chat	Accuracy and Resource Estimations for Quantum Chemistry on a Near-Term Quantum Computer	2019	Michael Kühn Sebastian Zanker Peter Deglmann Michael Marthaler Horst Weiß	2
+ PDF Chat	Quantum circuits for strongly correlated quantum systems	2009	Frank Verstraete J. I. Cirac José I. Latorre	2
+ PDF Chat	Iterative Qubit Coupled Cluster Approach with Efficient Screening of Generators	2020	Ilya G. Ryabinkin Robert A. Lang Scott N. Genin Artur F. Izmaylov	2
+ PDF Chat	Levels of self-consistency in the GW approximation	2009	Adrian Stan Nils Erik Dahlen Robert van Leeuwen	2
+ PDF Chat	Fractional charge perspective on the band gap in density-functional theory	2008	Aron J. Cohen Paula Mori‐Sánchez Weitao Yang	2
+ PDF Chat	Koopmans’ condition for density-functional theory	2010	Ismaïla Dabo Andrea Ferretti Nicolas Poilvert Yanli Li Nicola Marzari Matteo Cococcioni	2
+ PDF Chat	Resource-Efficient Chemistry on Quantum Computers with the Variational Quantum Eigensolver and the Double Unitary Coupled-Cluster Approach	2020	Mekena Metcalf Nicholas P. Bauman Karol Kowalski Wibe A. de Jong	2
+ PDF Chat	GW quasiparticle spectra from occupied states only	2010	Paolo Umari Geoffrey Stenuit Stefano Baroni	2
+ PDF Chat	Real-space grid implementation of the projector augmented wave method	2005	Jens Jørgen Mortensen Lars B. Hansen Karsten W. Jacobsen	2
+ PDF Chat	Self-consistent<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:mrow></mml:math>: All-electron implementation with localized basis functions	2013	Fabio Caruso Patrick Rinke Xinguo Ren Ángel Rubio Matthias Scheffler	2
+ PDF Chat	All-Electron Self-Consistent<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:math>Approximation: Application to Si, MnO, and NiO	2004	Sergey V. Faleev Mark van Schilfgaarde Takao Kotani	2
+ PDF Chat	Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method	2010	Tamar Stein Helen R. Eisenberg Leeor Kronik Roi Baer	2
+ PDF Chat	Relativistic unitary coupled cluster theory and applications	2008	Chiranjib Sur Rajat K. Chaudhuri B. K. Sahoo B. P. Das Debashis Mukherjee	2
+ PDF Chat	Efficient implementation of the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>G</mml:mi><mml:mi>W</mml:mi></mml:math>approximation within the all-electron FLAPW method	2010	Christoph Friedrich Stefan Blügel Arno Schindlmayr	2
+ PDF Chat	Canonical sampling through velocity rescaling	2007	Giovanni Bussi Davide Donadio Michele Parrinello	2
+ PDF Chat	First-principles<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mi mathvariant="italic">GW</mml:mi></mml:mrow></mml:math>calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications	2011	Xavier Blase Claudio Attaccalite Valério Olevano	2
+ PDF Chat	Intrinsic Atomic Orbitals: An Unbiased Bridge between Quantum Theory and Chemical Concepts	2013	Gerald Knizia	2
+	Solution of Sparse Indefinite Systems of Linear Equations	1975	Christopher C. Paige Michael A. Saunders	2
+	Determination of the Gaussian and Lorentzian content of experimental line shapes	1974	G. K. Wertheim M. A. Butler K. W. West D. N. E. Buchanan	2
+ PDF Chat	Non-Abelian anyons and topological quantum computation	2008	Chetan Nayak Steven H. Simon Ady Stern Michael Freedman S. Das Sarma	2
+ PDF Chat	A variational eigenvalue solver on a photonic quantum processor	2014	Alberto Peruzzo Jarrod R. McClean Peter Shadbolt Man‐Hong Yung Xiaoqi Zhou Peter J. Love Alán Aspuru‐Guzik Jeremy L. O’Brien	2
+ PDF Chat	Quasiparticle GW calculations for solids, molecules, and two-dimensional materials	2013	Falco Hüser Thomas Olsen Kristian S. Thygesen	2
+ PDF Chat	Integrable quantum computation	2012	Yong Zhang	2
+	Many-body perturbation theory calculations using the yambo code	2019	Davide Sangalli Andrea Ferretti Henrique P. C. Miranda Claudio Attaccalite Ivan Marri Elena Cannuccia Pedro Miguel M. C. de Melo Margherita Marsili Fulvio Paleari Antimo Marrazzo	2
+ PDF Chat	Error mitigation extends the computational reach of a noisy quantum processor	2019	Abhinav Kandala Kristan Temme Antonio Córcoles Antonio Mezzacapo Jerry M. Chow Jay Gambetta	2
+ PDF Chat	An adaptive variational algorithm for exact molecular simulations on a quantum computer	2019	Harper R. Grimsley Sophia E. Economou Edwin Barnes Nicholas J. Mayhall	2
+ PDF Chat	Generalized Unitary Coupled Cluster Wave functions for Quantum Computation	2018	Joonho Lee William J. Huggins Martin Head‐Gordon K. Birgitta Whaley	2