Undergraduate research: Students from UC Merced or other institutions can get involved for summer research through the MACES summer program or our new physics REU site. UC Merced students can also get involved during the academic year through the MACES undergraduate fellowship program. Students interested in doing a senior thesis should strive to take my class PHYS 141, Condensed Matter Physics, which is offered in fall of odd years (2021, 2023, etc.).
For PhD positions, applying through physics is preferred, but the chemistry or materials science (MBSE) PhD programs are also possible. A strong background in quantum mechanics is a must.
I am a mentor for Cal-Bridge.
Nicholas Lopez, electrical engineering BS at University of Texas, El Paso, summer 2020.
Ian Lopez Chavez, computer science BS, fall 2019.
Juan Martínez, applied mathematics BS, summer 2019.
Harrison Mausolff, physics BS, fall 2018 - spring 2019 (senior thesis).
Jack Weatherford, computer science BS at Sonoma State (MACES REU), summer 2018.
Brian Hungerman, computer science BS, fall 2017 - spring 2018.
Vardhan Solanki, computer science BS (and physics minor), spring 2018.
Aug 2022: Enrique Guerrero and Kuntal Talit successfully defended their Ph.D. theses, with theses entitled "Connecting Microstructural Defects in Molybdenum Disulfide andAmorphous Silicon Systems to Macroscale Performance using Mixed Computational Methods" and "Investigation of local strain, symmetry, and elastic properties of methylammonium lead iodide (MAPI) hybrid perovskite using density functional theory." Congratulations, Dr. Enrique and Dr. Kuntal!
May 2022: Mojdeh Banafsheh successfully defended her Ph.D. thesis, first from the SAIL group, with a thesis entitled "The non-additive kinetic potential: Features, singularities, and routes to improvement of density functional theory." Congratulations, Dr. Mojdeh!
May 2022: Elsa Vazquez and Nolan Kelly graduate with their B.S. degrees in physics, with senior theses entitled "Lubricants for outer space: properties of nickel-doped molybdenum disulfide from first principles" and "Geometry, electronic structure, and magneto-anisotropy energy of WS2 with a cobalt-at-sulfur-site substitutional defect." Congratulations, Elsa and Nolan!
May 2022: Enrique Guerrero receives the physics department award for outstanding graduate research. Congratulations, Enrique!
Mar 2022: SAIL at the APS March Meeting --
Kuntal, hybrid perovskite elasticity;
Uday, ensemble DFT in Octopus;
Brad, spin-flip BSE of CuO;
Mehdi, continuum lowering in solid Si;
Tobias, ultrafast melting of Si;
Mojdeh, cusps and steps in Vnad;
David, friction in Re-doped MoS2;
Arabi, strain and Raman in TMDs;
Rafael, excited-state forces;
Enrique, sliding in doped MoS2;
Rijan, Ni-doped 1T-MoS2
Nov 2021: Prof. Strubbe receives the NSF CAREER award! His project is entitled "Exciton-phonon coupling in quantum materials: atomistic insight for defects and 2D materials," and will also involve a sophomore-level Course-based Undergraduate Research Experience (CURE). UC Merced news article
Nov 2021: Mehdi passes his qualifying exam and advances to candidacy. Congratulations, Mehdi!
Nov 2021: UC Merced news article about our new CONDESA NSF Research Traineeship program.
Oct 2021: Elsa and Nolan are awarded the MACES undergraduate fellowship to carry out their physics senior thesis research on 2D materials. Congratulations, Elsa and Nolan!
Aug 2021: Rijan receives his Masters of Science degree. Congratulations, Rijan!
July 2021: Mojdeh passes her qualifying exam and advances to candidacy. Congratulations, Mojdeh!
May 2021: Rijan passes his qualifying exam and advances to candidacy. Congratulations, Rijan!
May 2021: Prof. Strubbe receives the UC Merced physics department's mentoring award for faculty.
Mar 2021: SAIL at the APS March Meeting --
Kuntal, hybrid perovskites Raman;
Mojdeh, non-additive kinetic potential;
Brad, spin-flip BSE applications;
Enrique, Ni-doped MoS2 Raman;
Rijan, Ni-doped MoS2 polytypes;
Nick, CsPbI3 Raman;
David, spin-flip BSE theory;
Mehdi, compressed silicon.
Oct 2020: SAIL at SACNAS -- Prof. Strubbe chairs a session on "Harnessing the Power of the Sun: Fighting Climate Change with Multidisciplinary Solar Energy Research" and serves as mentor and poster judge; Enrique presented a talk on "Computational Study of the 2D Material MoS2 for Application in Space Lubrication" (elevator pitch), and won the presentation award for the materials research category! See also department highlight.
June 2018: Prof. Strubbe has been awarded a grant of $1,580,000 from the Department of Energy, Office of Basic Energy Sciences, Computational and Theoretical Chemistry, along with Profs. Hrant Hratchian, Christine Isborn, Aurora Pribram-Jones, and Liang Shi, all from chemistry and chemical biology. The grant, entitled "Improved methods for modeling functional transition metal compounds in complex environments: Ground states, excited states, and ultrafast spectroscopies," will establish the Center for Chemical Computation and Theory (ccCAT) at UC Merced for collaborative work on theoretical methods and computational codes in chemistry and materials.
June 2018: Rijan Karkee joins the group for the summer, as incoming physics PhD student, and Jack Weatherford joins us as a MACES REU student.
May 2018: Prof. Strubbe received a grant from the MACES center to simulate materials for "Doped-MoS2 Solid Coatings for Robotic Space Exploration" in collaboration with Profs. Ashlie Martini and Mehmet Baykara in mechanical engineering.
Bradford A. Barker and David A. Strubbe, "Spin-flip Bethe-Salpeter equation approach for ground and excited states of open-shell molecules and defects in solids," arXiv:2207.04549 (2022).
Mojdeh Banafsheh, Tomasz A. Wesolowski, Tim Gould, Leeor Kronik, and David A. Strubbe, "Nuclear cusps and singularities in the non-additive kinetic potential bi-functional from analytical inversion," arXiv:2207.04160 (2022).
Bradford A. Barker, Jack Deslippe, Johannes Lischner, Manish Jain, Oleg V. Yazyev, David A. Strubbe, and Steven G. Louie, "Fully relativistic GW/Bethe-Salpeter calculations in BerkeleyGW: implementation, symmetries, benchmarking, and performance," arXiv:2206.00808 (2022).
Ogulcan Acikgoz, Enrique Guerrero, Alper Yanilmaz, Omur E. Dagdeviren, Cem Çelebi, David A. Strubbe, and Mehmet Z. Baykara, "Intercalation Leads to Inverse Layer Dependence of Friction on Chemically Doped MoS2," arXiv:2007.05805 (2022).
Enrique Guerrero and David A. Strubbe, "Structure, friction, and Raman spectroscopy of Re-doped bulk MoS2 from first principles," arXiv:2202.12889 (2022).
Rijan Karkee and David A. Strubbe, "Panoply of doping-induced reconstructions and electronic phases in Ni-doped 1T-MoS2," arXiv:2107.07541 (2022).
Sara Callori, Carol Hood, Alexandra Miller, Aaron Romanowsky, and David A. Strubbe, "Science by Diverse Scientists: A Cal-Bridge Physics & Astronomy Seminar Series," Am. J. Phys. 89, 908 (2021). Link
Rijan Karkee, Enrique Guerrero, and David A. Strubbe, "Enhanced interlayer interactions in Ni-doped MoS2, and structural and electronic signatures of doping site," Phys. Rev. Materials 5, 074006 (2021). Link, arXiv:2008.04301.
Enrique Guerrero, Rijan Karkee, and David A. Strubbe, "Phase stability and Raman/IR signatures of Ni-doped MoS2 from DFT studies," J. Phys. Chem. C 125, 13401−13412 (2021). Link, arXiv:2010.02198.
Kuntal Talit and David A. Strubbe, "Stress effects on Raman spectroscopy of cubic hybrid perovskite: A probe of local strain," J. Phys. Chem. C 124, 50, 27287–27299 (2020). Link, arXiv:1907.03673 (2020).
Micael J. T. Oliveira, Nick Papior, Yann Pouillon, Volker Blum, Emilio Artacho, Damien Caliste, Fabiano Corsetti, Stefano de Gironcoli, Alin M. Elena, Alberto Garcia, Victor M. Garcia-Suarez, Luigi Genovese, William P. Huhn, Georg Huhs, Sebastian Kokott, Emine Kucukbenli, Ask H. Larsen, Alfio Lazzaro, Irina V. Lebedeva, Yingzhou Li, David Lopez-Duran, Pablo Lopez-Tarifa, Martin Luders, Miguel A. L. Marques, Jan Minar, Stephan Mohr, Arash A. Mostofi, Alan O'Cais, Mike C. Payne, Thomas Ruh, Daniel G. A. Smith, Jose M. Soler, David A. Strubbe, Nicolas Tancogne-Dejean, Dominic Tildesley, Marc Torrent, Victor Wen-zhe Yu, "The CECAM Electronic Structure Library and the modular software development paradigm," J. Chem. Phys. 153, 024117 (2020). Link, arXiv:2005.05756, SciLight, Psi-K highlight
Nicolas Tancogne-Dejean, Micael J. T. Oliveira, Xavier Andrade, Heiko Appel, Carlos H. Borca, Guillaume Le Breton, Florian Buchholz, Alberto Castro, Stefano Corni, Alfredo A. Correa, Umberto De Giovannini, Alain Delgado, Florian G. Eich, Johannes Flick, Gabriel Gil, Adrián Gomez, Nicole Helbig, Hannes Hübener, René Jestädt, Joaquim Jornet-Somoza, Ask H. Larsen, Irina V. Lebedeva, Martin Lüders, Miguel A. L. Marques, Sebastian T. Ohlmann, Silvio Pipolo, Markus Rampp, Carlo A. Rozzi, David A. Strubbe, Shunsuke A. Sato, Christian Schäfer, Iris Theophilou, Alicia Welden, and Angel Rubio, "Octopus, a computational framework for exploring light-driven phenomena and quantum dynamics in extended and finite systems," J. Chem. Phys. 152, 124119 (2020). Link, arXiv:1912.07921.
Enrique Guerrero and David A. Strubbe, "Computational generation of voids in a-Si and a-Si:H by cavitation at low density," Phys. Rev. Materials 4, 025601 (2020). Link, arXiv:1907.01327, UC Merced physics research highlight.
Gergely T. Zimányi, Chase Hansen, and David Strubbe, "Performance Degradation in aSi/cSi Heterojunction Solar Cells by Glassy Dynamics," Proceedings of the IEEE 46th Photovoltaic Specialists Conference (PVSC) 1148-1150 (2019). Link.
Kevin Ryczko, David A. Strubbe, and Isaac Tamblyn, "Deep Learning and Density Functional Theory," Phys. Rev. A 100, 022512 (2019). Link, arXiv:1811.08928.
Irina V. Lebedeva, David A. Strubbe, Ilya V. Tokatly, and Angel Rubio, "Orbital magneto-optical response of periodic insulators from first principles," npj Comput. Mater. 5, 32 (2019) Link, arXiV:1806.09886
David A. Strubbe and Jeffrey C. Grossman, "Thermodynamic limits to energy conversion in solar thermal fuels," J. Phys.: Condens. Matt. 31, 034002 (2019) in Emerging Leaders special issue. Link, arXiV:1811.08020
Giuseppe Romano, Keivan Esfarjani, David A. Strubbe, David Broido, and Alexie M. Kolpak, "Temperature-dependent thermal conductivity in nanoporous materials studied by the Boltzmann Transport Equation," Phys. Rev. B 93, 035408 (2016) Link, arXiV:1505.06122
David A. Strubbe, Eric C. Johlin, Timothy R. Kirkpatrick, Tonio Buonassisi, and Jeffrey C. Grossman, "Stress effects on the Raman spectrum of an amorphous material: theory and experiment on a-Si:H," Phys. Rev. B 92, 241202(R) (2015) Link, arXiV:1511.01139
Huashan Li, David A. Strubbe, and Jeffrey C. Grossman, "Functionalized Graphene Superlattice as a Single-Sheet Solar Cell," Adv. Funct. Mater. 25, 5199-5205 (2015) Link
Xavier Andrade, David A. Strubbe, Umberto De Giovannini, Ask Hjorth Larsen, Micael J. T. Oliveira, Joseba Alberdi-Rodríguez, Alejandro Varas, Iris Theophilou, Nicole Helbig, Matthieu Verstraete, Lorenzo Stella, Fernando Nogueira, Alán Aspuru-Guzik, Alberto Castro, Miguel A. L. Marques, and Ángel Rubio, "Real-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems," Phys. Chem. Chem. Phys. 17, 31371-31396 (2015)
Jack Deslippe, Georgy Samsonidze, David A. Strubbe, Manish Jain, Marvin L. Cohen, and Steven G. Louie, "BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials and Nanostructures," Comput. Phys. Commun. 183, 1269 (2012)
Link, arXiV:1111.4429, www.berkeleygw.org
DA Strubbe, L Lehtovaara, A Rubio, MAL Marques, and SG Louie, "Response functions in TDDFT: concepts and implementation," in Fundamentals of Time-dependent density-functional theory, edited by MAL Marques, N Maitra, F Nogueira, EKU Gross, and A Rubio, Lecture Notes in Physics (Springer-Verlag Berlin 2012), pp. 139-166. Amazon
GP Zhang, DA Strubbe, SG Louie, and TF George, "First-principles prediction of optical second-order harmonic generation in the endohedral N@C60 compound," Phys. Rev. A 84, 023837 (2011).
F Vila, DA Strubbe, Y Takimoto, X Andrade, A Rubio, SG Louie, and JJ Rehr, "Basis-set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids," J. Chem. Phys. 133, 034111 (2010). Link, arXiv:1003.5878