Niri Govind

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Katkıda bulunan yazarlar

Karol KowalskiPacific Northwest National Laboratorypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Eric BylaskaChemical Physics Theory Team, Pacific Northwest National Laboratorypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Marat ValievPacific Northwest National Laboratorypnl.gov üzerinde doğrulanmış e-posta adresine sahip
Edoardo ApràPacific Northwest National Laboratorypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Bert de JongLawrence Berkeley National Laboratorylbl.gov üzerinde doğrulanmış e-posta adresine sahip
Hubertus Johannes Jacobus van DamBrookhaven National Laboratorybnl.gov üzerinde doğrulanmış e-posta adresine sahip
Emily A. CarterSenior Strategic Advisor for Sustainability Science, PPPL and Gerhard R. Andlinger Professor inprinceton.edu üzerinde doğrulanmış e-posta adresine sahip
Amity AndersenScientist, PNNLpnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Kenneth LopataLouisiana State University, Department of Chemistrylsu.edu üzerinde doğrulanmış e-posta adresine sahip
Munira KhalilProfessor, Department of Chemistry, University of Washingtonuw.edu üzerinde doğrulanmış e-posta adresine sahip
Theresa L. WindusDistinguished Professor of Chemistry at Iowa State University; Senior Scientist at Ames National Labiastate.edu üzerinde doğrulanmış e-posta adresine sahip
Shaul MukamelDistinguished Professor of Chemistry and of Physics and Astronomy, University of California, Irvineuci.edu üzerinde doğrulanmış e-posta adresine sahip
George FitzgeraldUniversal Display Corporationoled.com üzerinde doğrulanmış e-posta adresine sahip
Christopher J. CramerUL Research Institutesul.org üzerinde doğrulanmış e-posta adresine sahip
Jochen AutschbachProfessor of Chemistry, University at Buffalo, State University of New Yorkbuffalo.edu üzerinde doğrulanmış e-posta adresine sahip
Bo PengComputational Scientist, Pacific Northwest National Librarypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
DUNYOU WANGShandong Normal Universitysdnu.edu.cn üzerinde doğrulanmış e-posta adresine sahip
Yu ZhangAmes National Laboratoryameslab.gov üzerinde doğrulanmış e-posta adresine sahip
Gregory SchenterPacific Northwest National Laboratorypnnl.gov üzerinde doğrulanmış e-posta adresine sahip
Robert W. SchoenleinSLAC National Accelerator Laboratoryslac.stanford.edu üzerinde doğrulanmış e-posta adresine sahip

Takip et

Niri Govind

Diğer adlarNiranjan Govind, N. Govind

Physicist, Pacific Northwest National Laboratory

pnnl.gov üzerinde doğrulanmış e-posta adresine sahip - Ana Sayfa

Electronic Structure Theory X-ray Spectroscopy Ultrafast Dynamics Chemical Physics


Başlık Alıntılara göre sırala Yıla göre sırala Başlığa göre sırala	Alıntı yapanlar Alıntı yapanlar	Yıl
NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations M Valiev, EJ Bylaska, N Govind, K Kowalski, TP Straatsma, HJJ Van Dam, ... Computer Physics Communications 181 (9), 1477-1489, 2010	4560	2010
A generalized synchronous transit method for transition state location N Govind, M Petersen, G Fitzgerald, D King-Smith, J Andzelm Computational materials science 28 (2), 250-258, 2003	1290	2003
NWChem: Past, present, and future E Aprà, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... Journal of Chemical Physics 152 (18), 2020	675	2020
NWChem, a computational chemistry package for parallel computers, Version 5.1 EJ Bylaska, WA De Jong, N Govind, K Kowalski, TP Straatsma, M Valiev, ... Pacific Northwest National Laboratory, Richland, Washington 99352, 0999, 2007	608	2007
Orbital-free kinetic-energy density functionals with a density-dependent kernel YA Wang, N Govind, EA Carter Physical Review B 60 (24), 16350, 1999	350	1999
Quasiparticle Spectra from a Nonempirical Optimally Tuned Range-Separated Hybrid Density Functional S Refaely-Abramson, S Sharifzadeh, N Govind, J Autschbach, JB Neaton, ... Physical review letters 109 (22), 226405, 2012	321	2012
Modeling fast electron dynamics with real-time time-dependent density functional theory: Application to small molecules and chromophores K Lopata, N Govind Journal of chemical theory and computation 7 (5), 1344-1355, 2011	306	2011
Electronic-structure calculations by first-principles density-based embedding of explicitly correlated systems N Govind, YA Wang, EA Carter The Journal of chemical physics 110 (16), 7677-7688, 1999	302	1999
Linear-response and real-time time-dependent density functional theory studies of core-level near-edge X-ray absorption K Lopata, BE Van Kuiken, M Khalil, N Govind Journal of chemical theory and computation 8 (9), 3284-3292, 2012	266	2012
Molecular structure and stability of dissolved lithium polysulfide species M Vijayakumar, N Govind, E Walter, SD Burton, A Shukla, A Devaraj, ... Physical Chemistry Chemical Physics 16 (22), 10923-10932, 2014	262	2014
Accurate ab initio energetics of extended systems via explicit correlation embedded in a density functional environment N Govind, YA Wang, AJR Da Silva, EA Carter Chemical physics letters 295 (1-2), 129-134, 1998	258	1998
Quantitatively probing the Al distribution in zeolites A Vjunov, JL Fulton, T Huthwelker, S Pin, D Mei, GK Schenter, N Govind, ... Journal of the American Chemical Society 136 (23), 8296-8306, 2014	246	2014
Real-time time-dependent electronic structure theory X Li, N Govind, C Isborn, AE DePrince III, K Lopata Chemical Reviews 120 (18), 9951-9993, 2020	219	2020
Orbital-free kinetic-energy functionals for the nearly free electron gas YA Wang, N Govind, EA Carter Physical Review B 58 (20), 13465, 1998	219	1998
VQE method: a short survey and recent developments DA Fedorov, B Peng, N Govind, Y Alexeev Materials Theory 6 (1), 2, 2022	217	2022
Periodic density functional embedding theory for complete active space self-consistent field and configuration interaction calculations: Ground and excited states T Klüner, N Govind, YA Wang, EA Carter The Journal of chemical physics 116 (1), 42-54, 2002	208	2002
NWChem E Apra, EJ Bylaska, WA de Jong, N Govind, K Kowalski, TP Straatsma, ... American Institute of Physics, 2020	199	2020
Curvature and frontier orbital energies in density functional theory T Stein, J Autschbach, N Govind, L Kronik, R Baer The journal of physical chemistry letters 3 (24), 3740-3744, 2012	190	2012
Nanotube-based gas sensors–Role of structural defects J Andzelm, N Govind, A Maiti Chemical Physics Letters 421 (1-3), 58-62, 2006	171	2006
Prediction of electronic excited states of adsorbates on metal surfaces from first principles T Klüner, N Govind, YA Wang, EA Carter Physical review letters 86 (26), 5954, 2001	162	2001

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