Strubbe Ab Initio Laboratory (SAIL)
David A. Strubbe
assistant professor, department of physics,
University of California, Merced
dstrubbe @ ucmerced . edu
Member of Physics, Chemistry and Chemical Biology (CCB), and Materials and Biomaterials Science and Engineering (MBSE) graduate groups
PI of Consortium for High-Energy Density Science (CfHEDS) at UC Merced
Co-PI of Center for Chemical Computational and Theory (ccCAT) at UC Merced
Affiliated with NASA-funded Merced Nanomaterials Center for Energy and Sensing (MACES)
Computing power from NERSC and our local cluster MERCED
Postdoc position available. See ads here and here.
For PhD positions, apply through the physics or chemistry programs.
Chair of physics graduate admissions, and mentor for Eureka Street
2020 Electronic Structure Workshop at UC Merced
Research areas: theoretical condensed-matter physics and materials science, excited-state electronic-structure methods, amorphous materials, photovoltaics, thermoelectrics, scientific code development for high-performance computing
postdoc at MIT materials science and engineering
Jeff Grossman group
Looking for actual sailing in Merced? Lake Yosemite Sailing Association
PhD June 2012, advisor Steven G. Louie. Thesis title: "Optical and transport properties of organic molecules: Methods and applications"
Department of Physics, UC Berkeley
NSF Fellow, Nano IGERT Fellow
M.A. in physics, UC Berkeley, December 2007
B.S. in chemistry and physics, University of Chicago, June 2005
Google Scholar page
- Enrique Guerrero, physics PhD, 2016-
- Kuntal Talit, physics PhD, 2017-
- Rijan Karkee, physics PhD, 2018-
- Md. Mehdi Masud, physics PhD, 2019-
- Mojdeh Banafsheh, physics PhD, 2019-
- Arabi Seshappan, physics PhD, 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 2019: Enrique passes his qualifying exam, first from our group. Congratulations, Enrique!
- July 2019: UC Merced news: Physicist Researching Materials Chemistry to Build Better Solar Cells
- May 2019: Prof. Strubbe is interviewed about his work on Science Studio of National Public Radio station KTEP at the University of Texas at El Paso. Listen here.
- Apr 2019: We are awarded a grant from the Air Force Office of Scientific Research, Organic Materials Chemistry program.
- Mar 2019: SAIL at the American Physical Society March Meeting: B20.8, C18.13, F20.7, S20.10, X13.2
- Feb 2019: Rijan is awarded a MACES summer fellowship for work on "First-Principles Calculation of Ni-Doped MoS2."
- Feb 2019: Lawrence Livermore news: "LLNL, universities form HED science alliance"
- Jan 2019: Enrique is awarded best oral presentation at the first annual ccCAT retreat.
- Jan 2019: Prof. Strubbe is awarded 1 million hours at the National Energy Research Scientific Computing (NERSC) center for 2019.
- Nov 2018: Kuntal Talit wins 2nd place graduate prize at the poster session of the APS Bridge Program and National Mentoring Community Conference for "Raman spectra as a probe of localized strain in perovskite solar cells."
- Nov 2018: UC Merced news: "New Consortium Seeks to Expose Students to a Galaxy of Opportunities"
- Oct 2018: Dr. Bradford Barker joins as postdoc, from UC Berkeley.
- Sept 2018: Enrique presents a seminar "Modeling Amorphous Silicon using Monte Carlo Simulations" at his alma mater Humboldt State University.
- Aug 2018: Prof. Strubbe as instructor and Enrique as student participate in the 8th edition of the Benasque school and workshop on Time-Dependent Density-Functional Theory in Spain.
- July 2018: Prof. Strubbe has been awarded a grant of $910,861 from the Department of Energy's National Nuclear Security Administration, to establish the Consortium for High Energy Density Science (CfHEDS) along with Lawrence Livermore National Laboratory, Florida A&M University, and Morehouse College. The grant from the NNSA's Minority Serving Institution Partnership Program is for computational study of electronic structure of materials under extreme conditions and training of students in this field, and also involves Prof. Aurora Pribram-Jones from chemistry and chemical biology.
- 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.
- May 2018: Enrique and Kuntal are both awarded the Dan David Solar Fellowship.
- May 2018: Prof. Strubbe and Enrique are awarded a summer fellowship to work with the Lawrence Berkeley National Laboratory Computational Research Division. article
- March 2018: Enrique is awarded a physics graduate group summer fellowship for his work on amorphous silicon interfaces.
- March 2018: Enrique presents "Computational Generation of Hydrogenated Amorphous Silicon for Tandem Solar Cells: Strain, Voids, and Interfaces" at the APS March Meeting in Los Angeles.
- Feb 2018: Kuntal is awarded a MACES summer fellowship for his work on organometallic perovskites.
- Jan 2018: Prof. Strubbe is awarded 1 million hours at the National Energy Research Scientific Computing (NERSC) center for 2018.
- Oct 2017: Prof. Strubbe leads trip for physics and MACES students to visit the University of California's Lick Observatory on Mount Hamilton.
- May 2017: Prof. Strubbe and Prof. Boaz Ilan in applied mathematics are awarded a grant for "Computational Design of Highly Efficient Tandem Perovskite-Based Solar Cells" from the NASA-funded Merced nAnomaterials Center for Energy and Sensing (MACES) center on campus.
- Sept 2016: Interview (in Spanish) with Spanish radio station "Radio Aragón" about Benasque TDDFT conference. My transcript and rough translation to English
- June 2016: Prof Strubbe joins UC Merced as part of cluster hire for computational science.
- slides introducing physics electives.
- PHYS 251: Introduction to Graduate Research, fall 2018, fall 2019.
- PHYS 141/241: Undergraduate/Graduate Introductory Condensed-Matter Physics, fall 2018, fall 2019.
- PHYS 241: Graduate Solid-State Physics, fall 2017. flyer
- First-year seminars, fall 2017
- PHYS 008: Introductory Physics I (classical mechanics), spring 2017, spring 2018, spring 2019.
- BerkeleyGW tutorial, Lawrence Berkeley National Laboratory, January 2017 and 2018.
- Benasque TDDFT School, Benasque, Spain, September 2016 and August 2018.
- MIT Independent Activities Period: Electronic-structure software tutorials, Jan 2016.
Kuntal Talit and David A. Strubbe, "Stress effects on Raman spectroscopy of cubic hybrid perovskite: A probe of local strain," arXiV:1907.03673 (2019)
Enrique Guerrero and David A. Strubbe, "Structural changes and void generation in low-density amorphous silicon: a computational study," arXiv:1907.01327 (2019).
Mohammad R. Vazirisereshk, Ashlie Martini, David A. Strubbe, and Mehmet Z. Baykara, "Solid Lubrication with MoS2: A Review," Lubricants 7, 57 (2019). Abstract, arXiV:1906.05854. Selected as journal cover.
Kevin Ryczko, David A. Strubbe, and Isaac Tamblyn, "Deep Learning and Density Functional Theory," Phys. Rev. A 100, 022512 (2019). Abstract, 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) Abstract, 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. Abstract, 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) Abstract, 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) Abstract, 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) Abstract
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)
Xavier Andrade, Joseba Alberdi-Rodríguez, David A. Strubbe, Micael J. T. Oliveira, Fernando Nogueira, Alberto Castro, Javier Muguerza, Agustin Arruabarrena, Steven G. Louie, Alán Aspuru-Guzik, Angel Rubio, and Miguel A. L. Marques, "TDDFT in massively parallel computer architectures: the OCTOPUS project," J. Phys.: Condens. Matter 24, 233202 (2012)
Abstract, Psi-k Scientific Highlight of the Month, April 2012, http://www.tddft.org/programs/octopus
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)
Abstract, 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). Abstract, arXiv:1003.5878
MJ Comstock, DA Strubbe, L Berbil-Bautista, N Levy, J Cho, D Poulsen, JMJ Fréchet, SG Louie, MF Crommie, "Determination of photoswitching dynamics through chiral mapping of single molecules using a scanning tunneling microscope," Phys. Rev. Lett. 104, 178301 (2010). Abstract
In Virtual Journal of Nanoscale Science & Technology, 10 May 2010.
In Virtual Journal of Biological Physics Research, 1 May 2010.
MJ Comstock, N Levy, A Kirakosian, J Cho, F Lauterwasser, JH Harvey, DA Strubbe, JMJ Fréchet, D Trauner, SG Louie, MF Crommie, "Reversible photomechanical switching of individual engineered molecules at a metallic surface," Phys. Rev. Lett. 99, 038301 (2007).
In Virtual Journal of Nanoscale Science & Technology, 30 July 2007.
In Virtual Journal of Biological Physics Research, 1 August 2007.
Science Editor's Choice: "Surface science: Getting a leg up"
Berkeley Lab View: "The little engine that could: Light powers world's smallest piston"
Nanoscale Views blog: "The accidental session chair"
Prof. Strubbe's Presentations
Firmi: utility to prepare Fermi surfaces for 3D printing. First prize in Materials Hackathon at MRS Fall Meeting 2015.
Octopus: real-space TDDFT.
BerkeleyGW: many-body perturbation theory.
computational nanoscience toolkit on nanoHUB.
Featured in nanoHUB newsletter for Feb 2019.
Libxc: a library of exchange-correlation functionals.
MERCED cluster wiki
Psi-k: email list for jobs and events in ab initio electronic structure.
introductory resources for students in electronic structure