David A. Strubbe


assistant professor, department of physics, University of California, Merced
dstrubbe @ ucmerced . edu
Member of physics and chemistry and chemical biology graduate groups

Postdoc positions available. Please contact me if you are interested.
For PhD positions, you need to apply through the physics or chemistry programs.

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

Previous address:
postdoc at MIT materials science and engineering
Jeff Grossman group

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

ORCID: 0000-0003-2426-5532

News:

Interview (in Spanish) with Spanish radio station "Radio Aragón" about Benasque TDDFT conference, 19 September 2016. My transcript and rough translation to English

Cluster hire for computational science at UC Merced

Teaching:

PHYS 8: Introductory Physics I (classical mechanics), spring 2017.

MIT Independent Activities Period: Electronic-structure software tutorials

Publications:

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) Abstract, arXiV:1501.05654

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). Abstract

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). Abstract
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"
arXiv: cond-mat/0612201v2
Berkeley Lab View: "The little engine that could: Light powers world's smallest piston"
Nanoscale Views blog: "The accidental session chair"

Presentations:

"Finding order in disorder: Raman spectroscopy of amorphous silicon, from ab initio to multiscale models" (invited), American Physical Society March Meeting, New Orleans, LA, 14 March 2017. H19.4

"Thermodynamic Limits to Energy Conversion in Solar Thermal Fuels," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Fall Meeting, Boston, MA, 2 Dec 2016 (poster). TC2.12.22

"Computational Simulations of Solar-Energy Materials: Amorphous Silicon and Solar Thermal Fuels," physics seminar, University of California, Merced, 28 October 2016.

"Theoretical condensed-matter physics at the nanoscale: Integrated solar-energy storage with solar-thermal fuels," nanomaterials seminar, University of California, Merced, 20 October 2016.

"Solar thermal fuels: photoisomerization dynamics from TDDFT and efficiency limits for solar energy storage," CECAM workshop "Computational insight into photo-induced processes at interfaces", Bremen Center for Computational Materials Science, University of Bremen, Germany, 12 October 2016.

"Computational Simulations of Solar-Energy Materials: Amorphous Silicon, Pentacene, and Solar Thermal Fuels," chemistry seminar, University of California, Merced, 30 September 2016.

"Finding order in disorder: Raman spectroscopy of amorphous silicon, from ab initio to multiscale models," invited talk at TDDFT 2016, Benasque, Spain, 22 September 2016.

"Ab initio parametrization of bond-polarizability model for Raman spectroscopy of complex Si materials," invited minisymposium talk, SIAM Conference on Mathematical Aspects of Materials Science, Philadelphia, PA, 9 May 2016.

"Finding order in disorder: Raman spectroscopy of amorphous silicon, from ab initio to multiscale models," Micro-nano seminar, Department of Mechanical Engineering, Massachusetts Institute of Technology, 11 April 2016.

"Computational simulations of solar-energy materials: amorphous silicon, pentacene, and solar thermal fuels," School of Engineering, University of California, Merced, CA, 5 April 2016.

"Ab initio theory of solar-energy materials: Raman spectroscopy of amorphous silicon and excited-state dynamics of solar thermal fuels," invited seminar, Department of Materials Design and Innovation, University at Buffalo, NY, 23 March 2016.

"Ab initio parametrization of bond-polarizability model for Raman spectroscopy of complex Si materials," David A. Strubbe and Jeffrey C. Grossman, American Physical Society Meeting, Baltimore, MD, 14 March 2016.

"Ab initio theory of solar-energy materials: Raman spectroscopy of amorphous silicon and excited-state dynamics of solar thermal fuels," invited colloquium, Department of Electrical and Computer Engineering, University of California, Riverside, CA, 7 March 2016.

"Raman spectroscopy of complex Si materials for photovoltaics from ab initio and multiscale modeling" (invited), Institut de Physique, École Polytechnique Fédérale de Lausanne, Switzerland, 28 Jan 2016.

"Ab initio parametrization of bond-polarizability model for Raman spectroscopy of a-Si:H," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Fall Meeting, Boston, MA, 3 Dec 2015.

"Thermodynamic Limits for Solar Thermal Fuels," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Spring Meeting, San Francisco, CA, 7 April 2015 (poster).

"Stress effects on Raman spectroscopy of aSi:H — theory and experiment," David A. Strubbe, Eric C. Johlin, Timothy R. Kirkpatrick, Tonio Buonassisi, and Jeffrey C. Grossman, Materials Research Society Spring Meeting, San Francisco, CA, 7 April 2015.

"Stress effects on Raman spectroscopy of aSi:H — theory and experiment," David A. Strubbe, Eric C. Johlin, Timothy R. Kirkpatrick, Tonio Buonassisi, and Jeffrey C. Grossman, American Physical Society Meeting, San Antonio, TX, 2 March 2015.

"Thermodynamic Limits to the Efficiency of Solar Thermal Fuels," David A. Strubbe, Yun Liu, and Jeffrey C. Grossman, Materials Research Society Fall Meeting, Boston, MA, 4 Dec 2014 (poster).

"Photoisomerization Dynamics of Solar Thermal Fuels with TDDFT Excited-State Forces," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Fall Meeting, Boston, MA, 4 Dec 2014.

"Some practical issues in BerkeleyGW calculations," lecture for BerkeleyGW tutorial, Oakland, CA, 19 November 2014.

"Photoisomerization Dynamics of Solar Thermal Fuels with TDDFT Excited-State Forces," David A. Strubbe and Jeffrey C. Grossman, IUPAP Conference on Computational Physics, Boston, MA, 13 August 2014.

"Stress effects on Raman spectroscopy of aSi:H — an ab initio study," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Spring Meeting, San Francisco, CA, 24 April 2014.

"Non-Linear Optical Susceptibility and Local-Field Factors in Liquid Chloroform: A Time-Dependent Density-Functional Theory Study," David A. Strubbe, Alejandro Pérez Paz, Xavier Andrade, Angel Rubio, and Steven G. Louie, Materials Research Society Spring Meeting, San Francisco, CA, 24 April 2014.

"Fundamental efficiency limit for solar thermal fuels," David A. Strubbe, Yun Liu, and Jeffrey C. Grossman, American Physical Society Meeting, Denver, CO, 3 March 2014.

"Real-space DFT for plane-wave GW/BSE calculations," (invited minisymposium) 16th SIAM Conference on Parallel Processing for Scientific Computing, Portland, OR, 20 February 2014.

"Excited-state forces in TDDFT and the Bethe-Salpeter equation," (invited) TDDFT 2014, Benasque, Spain, 15 January 2014.

"Non-linear material response properties with TDDFT," lecture for school, TDDFT 2014, Benasque, Spain, 9 January 2014.

"Tutorial: Octopus + BerkeleyGW," lecture for school, TDDFT 2014, Benasque, Spain, 11 January 2014.

"Practical calculations of semiconductors and metals," lecture for BerkeleyGW tutorial, Oakland, CA, 22 November 2013.

"Photoisomerization dynamics with excited-state forces for solar thermal fuels," David A. Strubbe and Jeffrey C. Grossman, Japanese Society for Applied Physics/Materials Research Society joint symposium, Kyoto, Japan, 16 September 2013.

"Photoisomerization dynamics of azobenzene materials for solar thermal fuels," David A. Strubbe and Jeffrey C. Grossman, Materials Research Society Spring Meeting, San Francisco, CA, 3 April 2013 (poster).

"Excited-state forces: exciton self-trapping and photoisomerization," (invited seminar) Quantum Simulations Group, Lawrence Livermore National Laboratory, Livermore, CA, 29 March 2013.

"Photoisomerization dynamics of azobenzene materials for solar thermal fuels," David A. Strubbe and Jeffrey C. Grossman, APS March Meeting, Baltimore, MD, 19 March 2013.

"Exciton self-trapping in the optical response of pentacene crystals from first principles," David A. Strubbe, Sahar Sharifzadeh, Jeffrey B. Neaton, and Steven G. Louie, Materials Research Society Fall Meeting, Boston, MA, 28 November 2012.

"Exciton self-trapping in the optical response of pentacene crystals from first principles," University of Ontario Institute of Technology, Oshawa, Ontario, 26 September 2012.

"Exciton self-trapping and Stark effect in the optical response of pentacene crystals from first principles," David A. Strubbe, Sahar Sharifzadeh, Jeffrey B. Neaton, and Steven G. Louie, APS March Meeting, Boston, MA, 29 February 2012.

"Linear and Nonlinear Optical Response in TDDFT" (invited minisymposium) 15th SIAM Conference on Parallel Processing for Scientific Computing, Savannah, GA, 16 February 2012.

"Non-linear material response properties with TDDFT," lecture for school, TDDFT 2012, Benasque, Spain, 10 January 2012.

"Introduction to Octopus, a real-space (TD)DFT code," lecture for school, TDDFT 2012, Benasque, Spain, 4 January 2012.

"Efficient k.p method for first-principles calculation of Seebeck coefficient in quantum transport," David A. Strubbe, Su Ying Quek, Hyoung Joon Choi, J. B. Neaton, Steven G. Louie, APS March Meeting, Dallas, TX, March 2011.

"Ab initio studies of optical and transport properties of organic molecules," Materials Modelling Laboratory Seminar, Department of Materials, University of Oxford, 25 June 2010.

"Non-linear optics and local-field factors in liquid chloroform: A time-dependent density-functional theory study," TDDFT 2010, Benasque, Spain, 14 Jan. 2010 (Pedro Pascual prize talk).

"Non-linear optics and local-field factors in liquid chloroform: A time-dependent density-functional theory study," David A. Strubbe, Xavier Andrade, Ángel Rubio, Steven G. Louie, APS March Meeting, Portland, OR, March 2010.

"Non-linear optics and local-field factors in liquid chloroform: A time-dependent density-functional theory study," David A. Strubbe, Xavier Andrade, Ángel Rubio, Steven G. Louie, APS March Meeting, Pittsburgh, PA, March 2009.

"Ab initio studies of electronic transport through amine-Au-linked junctions of photoactive molecules," David A. Strubbe, Su Ying Quek, Latha Venkataraman, Hyoung-Joon Choi, J.B. Neaton, Steven Louie, APS March Meeting, New Orleans, LA, March 2008.

"Theoretical study of photoisomerization of azobenzene derivatives on Au(111)," David A. Strubbe, Matthew J. Comstock, Niv Levy, Armen Kirakosian, Jongweon Cho, Michael F. Crommie, Steven G. Louie, APS March Meeting, Denver, CO, March 2007.

Coding projects

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.

Libxc: a library of exchange-correlation functionals.

MacPorts: ports I am maintaining

Berkeley Science Review articles:

Richter Scale ["Strontium" at DeYoung art museum], Spring 2006
(Meta)material World: A new class of materials promises to give scientists even greater control over Nature, Fall 2006
Catch a Wave [direct observation of polaritons], Spring 2007
Chasing Cars: Traffic researchers work to replace "stop and go" with "go with the flow", Fall 2007
A Berkeley student in Basque country, Fall 2008
Quantum dots light up: Seeing inside cells more clearly, Fall 2009
Now presenting: Ununquadium!, Spring 2010

Useful links


Psi-k: email list for jobs and events in ab initio electronic structure.
Materials Computation Center: NSF-funded travel grants for conferences in materials theory.
introductory resources for students in electronic structure

What is a civet?

Fish dictionary

Former co-president, Berkeley Nanotechnology Club
Former Team manager, Accretion Disc ultimate frisbee