Attosecond band-gap dynamics in silicon M Schultze, K Ramasesha, CD Pemmaraju, SA Sato, D Whitmore, ...
Science 346 (6215), 1348-1352, 2014
626 2014 Possible doping strategies for MoSab initio study K Dolui, I Rungger, C Das Pemmaraju, S Sanvito
Physical Review B—Condensed Matter and Materials Physics 88 (7), 075420, 2013
616 2013 An ultrafast symmetry switch in a Weyl semimetal EJ Sie, CM Nyby, CD Pemmaraju, SJ Park, X Shen, J Yang, MC Hoffmann, ...
Nature 565 (7737), 61-66, 2019
450 2019 Ferromagnetism Driven by Intrinsic Point Defects in C Das Pemmaraju, S Sanvito
Physical review letters 94 (21), 217205, 2005
448 2005 Femtosecond x-ray spectroscopy of an electrocyclic ring-opening reaction AR Attar, A Bhattacherjee, CD Pemmaraju, K Schnorr, KD Closser, ...
Science 356 (6333), 54-59, 2017
333 2017 Electric Field Effects on Armchair MoS2 Nanoribbons K Dolui, CD Pemmaraju, S Sanvito
ACS nano 6 (6), 4823-4834, 2012
227 2012 Efficient implementation of core-excitation Bethe–Salpeter equation calculations K Gilmore, J Vinson, EL Shirley, D Prendergast, CD Pemmaraju, JJ Kas, ...
Computer Physics Communications 197, 109-117, 2015
212 2015 Atomic-orbital-based approximate self-interaction correction scheme for molecules and solids CD Pemmaraju, T Archer, D Sánchez-Portal, S Sanvito
Physical Review B—Condensed Matter and Materials Physics 75 (4), 045101, 2007
205 2007 Impurity-ion pair induced high-temperature ferromagnetism in Co-doped ZnO CD Pemmaraju, R Hanafin, T Archer, HB Braun, S Sanvito
Physical Review B—Condensed Matter and Materials Physics 78 (5), 054428, 2008
192 2008 Direct and simultaneous observation of ultrafast electron and hole dynamics in germanium M Zürch, HT Chang, LJ Borja, PM Kraus, SK Cushing, A Gandman, ...
Nature communications 8 (1), 15734, 2017
186 2017 Berry curvature memory through electrically driven stacking transitions J Xiao, Y Wang, H Wang, CD Pemmaraju, S Wang, P Muscher, EJ Sie, ...
Nature Physics 16 (10), 1028-1034, 2020
164 2020 Predicting A Droghetti, CD Pemmaraju, S Sanvito
Physical Review B—Condensed Matter and Materials Physics 78 (14), 140404, 2008
152 2008 Detecting the oxyl radical of photocatalytic water oxidation at an n-SrTiO3 /aqueous interface through its subsurface vibration DM Herlihy, MM Waegele, X Chen, CD Pemmaraju, D Prendergast, T Cuk
Nature chemistry 8 (6), 549-555, 2016
147 2016 Characterization of polysulfide radicals present in an ether‐based electrolyte of a lithium–sulfur battery during initial discharge using in situ X‐ray absorption spectroscopy … KH Wujcik, TA Pascal, CD Pemmaraju, D Devaux, WC Stolte, NP Balsara, ...
Advanced Energy Materials 5 (16), 1500285, 2015
137 2015 Atomic-scale perspective of ultrafast charge transfer at a dye–semiconductor interface KR Siefermann, CD Pemmaraju, S Neppl, A Shavorskiy, AA Cordones, ...
The journal of physical chemistry letters 5 (15), 2753-2759, 2014
108 2014 Variational pseudo-self-interaction-corrected density functional approach to the ab initio description of correlated solids and molecules A Filippetti, CD Pemmaraju, S Sanvito, P Delugas, D Puggioni, ...
Physical Review B—Condensed Matter and Materials Physics 84 (19), 195127, 2011
104 2011 Spectroscopic signature of oxidized oxygen states in peroxides Z Zhuo, CD Pemmaraju, J Vinson, C Jia, B Moritz, I Lee, S Sallies, Q Li, ...
The journal of physical chemistry letters 9 (21), 6378-6384, 2018
103 2018 The Formation Time of Ti–O• and Ti–O• –Ti Radicals at the n-SrTiO3 /Aqueous Interface during Photocatalytic Water Oxidation X Chen, SN Choing, DJ Aschaffenburg, CD Pemmaraju, D Prendergast, ...
Journal of the American Chemical Society 139 (5), 1830-1841, 2017
102 2017 Soft X-ray second harmonic generation as an interfacial probe RK Lam, SL Raj, TA Pascal, CD Pemmaraju, L Foglia, A Simoncig, ...
Physical review letters 120 (2), 023901, 2018
98 2018 Exchange interactions and magnetic phases of transition metal oxides: Benchmarking advanced ab initio methods T Archer, CD Pemmaraju, S Sanvito, C Franchini, J He, A Filippetti, ...
Physical Review B—Condensed Matter and Materials Physics 84 (11), 115114, 2011
97 2011