Timothy Berkelbach

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Mark S HybertsenSenior Physicist, Emeritus, Center for Functional Nanomaterials, Brookhaven National LaboratoryVerified email at bnl.gov
Tony F HeinzDepts. of Applied Physics, Photon Science, and, by courtesy, of Electrical Eng., SLAC, StanfordVerified email at stanford.edu
Alexey ChernikovDresden University of Technology (TU Dresden), University of RegensburgVerified email at tu-dresden.de
Garnet Kin-Lic ChanDivision of Chemistry and Chemical Engineering, California Institute of TechnologyVerified email at caltech.edu
Hong-Zhou YeDepartment of Chemistry and Biochemistry, IPST, University of Maryland, College ParkVerified email at umd.edu
Yeongsu ChoAssistant Professor, University of HoustonVerified email at central.uh.edu
Qiming SunCalifornia Institute of TechnologyVerified email at caltech.edu
Sandeep SharmaCalifornia Institute of TechnologyVerified email at caltech.edu
Pinshane Y. HuangProfessor of Materials Science, University of IllinoisVerified email at illinois.edu
David A MullerProfessor of Applied and Engineering Physics, Cornell UniversityVerified email at cornell.edu
Arend M. van der ZandeDepartment of Materials Science and Engineering, University of Illinois at Urbana ChampaignVerified email at illinois.edu
Louis BrusProfessor of Chemistry, Columbia UniversityVerified email at columbia.edu
Latha VenkataramanProfessor, Institute of Science and Technology AustriaVerified email at ista.ac.at
Xiao WangUniversity of California, Santa CruzVerified email at ucsc.edu
Xiaoyang ZhuHoward Family Professor of Nanoscience, Columbia UniversityVerified email at columbia.edu
Jonathan H. FetherolfPostdoctoral Associate, Princeton UniversityVerified email at princeton.edu
Thomas MarklandProfessor of Chemistry, Stanford UniversityVerified email at stanford.edu
Luis M. CamposDepartment of Chemistry, Columbia UniversityVerified email at columbia.edu
Jiali GaoUniversity of MinnesotaVerified email at jialigao.org
Mark E TuckermanNew York UniversityVerified email at nyu.edu

Timothy Berkelbach

Columbia University, Flatiron Institute

Verified email at columbia.edu - Homepage

Theoretical Chemistry Condensed Matter Physics


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Exciton Binding Energy and Nonhydrogenic Rydberg Series in Monolayer WS2 A Chernikov, TC Berkelbach, HM Hill, A Rigosi, Y Li, OB Aslan, ... Physical Review Letters 113 (7), 076802, 2014	3068	2014
Grains and grain boundaries in highly crystalline monolayer molybdenum disulfide AM van der Zande, PY Huang, DA Chenet, TC Berkelbach, Y You, ... Nature Materials 12, 554, 2013	2568	2013
PySCF: the Python‐based simulations of chemistry framework Q Sun, TC Berkelbach, NS Blunt, GH Booth, S Guo, Z Li, J Liu, ... Wiley Interdisciplinary Reviews: Computational Molecular Science 8 (1), e1340, 2018	2066	2018
Recent developments in the PySCF program package Q Sun, X Zhang, S Banerjee, P Bao, M Barbry, NS Blunt, NA Bogdanov, ... The Journal of chemical physics 153 (2), 2020	1297	2020
Theory of neutral and charged excitons in monolayer transition metal dichalcogenides TC Berkelbach, MS Hybertsen, DR Reichman Physical Review B 88 (4), 045318, 2013	1198	2013
Coulomb engineering of the bandgap and excitons in two-dimensional materials A Raja, A Chaves, J Yu, G Arefe, HM Hill, AF Rigosi, TC Berkelbach, ... Nature communications 8 (1), 15251, 2017	906	2017
Observation of biexcitons in monolayer WSe2 Y You, XX Zhang, TC Berkelbach, MS Hybertsen, DR Reichman, ... Nature Physics 11, 477, 2015	838	2015
Observation of excitonic Rydberg states in monolayer MoS2 and WS2 by photoluminescence excitation spectroscopy HM Hill, AF Rigosi, C Roquelet, A Chernikov, TC Berkelbach, ... Nano Letters 15 (5), 2992, 2015	506	2015
Microscopic theory of singlet exciton fission. II. Application to pentacene dimers and the role of superexchange TC Berkelbach, MS Hybertsen, DR Reichman The Journal of Chemical Physics 138 (11), 114103, 2013	449	2013
Dielectric disorder in two-dimensional materials A Raja, L Waldecker, J Zipfel, Y Cho, S Brem, JD Ziegler, M Kulig, ... Nature nanotechnology 14 (9), 832-837, 2019	417	2019
Tailoring the electronic structure in bilayer molybdenum disulfide via interlayer twist A van der Zande, J Kunstmann, A Chernikov, D Chenet, YM You, ... Nano Letters 14 (7), 3869, 2014	383	2014
The quantum coherent mechanism for singlet fission: Experiment and theory WL Chan, TC Berkelbach, MR Provorse, NR Monahan, JR Tritsch, ... Accounts of Chemical Research 46 (6), 1321-1329, 2013	373	2013
Microscopic theory of singlet exciton fission. I. General formulation TC Berkelbach, MS Hybertsen, DR Reichman The Journal of Chemical Physics 138 (11), 114102, 2013	317	2013
Gaussian-based coupled-cluster theory for the ground-state and band structure of solids J McClain, Q Sun, GKL Chan, TC Berkelbach Journal of chemical theory and computation 13 (3), 1209-1218, 2017	291	2017
Concerted hydrogen-bond dynamics in the transport mechanism of the hydrated proton: A first-principles molecular dynamics study TC Berkelbach, HS Lee, ME Tuckerman Physical Review Letters 103 (23), 238302, 2009	264	2009
Microscopic theory of singlet exciton fission. III. Crystalline pentacene TC Berkelbach, MS Hybertsen, DR Reichman The Journal of Chemical Physics 141 (7), 074705, 2014	215	2014
Length-Dependent Conductance of Oligothiophenes B Capozzi, EJ Dell, TC Berkelbach, DR Reichman, L Venkataraman, ... Journal of the American Chemical Society 136 (29), 10486, 2014	175	2014
Conductivity of disordered quantum lattice models at infinite temperature: Many-body localization TC Berkelbach, DR Reichman arXiv preprint arXiv:1003.5224, 2010	170	2010
Multiphonon Relaxation Slows Singlet Fission in Crystalline Hexacene E Busby, TC Berkelbach, B Kumar, A Chernikov, Y Zhong, H Hlaing, ... Journal of the American Chemical Society 136 (30), 10654, 2014	156	2014
Environmentally sensitive theory of electronic and optical transitions in atomically thin semiconductors Y Cho, TC Berkelbach Physical Review B 97 (4), 041409, 2018	144	2018

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