NERSCPowering Scientific Discovery Since 1974

Jack Deslippe

p8051795 2
Jack Deslippe , Ph.D.
Acting Group Leader
Fax: (510) 486-6459
1 Cyclotron Road
Mailstop: 59R4010A
Berkeley, CA 94720 US

Biographical Sketch

Jack Deslippe specializes in the support of material science applications and users at NERSC. He is engaged in evaluating and improving the suitability of these applications for potential N8 architectures. He additionally works on bringing dynamic web-content to users through MyNERSC, the MOTD system, Completed Jobs Pages, ALS Science Gateway Projects and the NERSC mobile site, m.nersc.gov.

Jack is a PI on a SCIDAC project (http://excited-state-scidac.org/) and is one of the lead developers of the BerkeleyGW package for computing the excited state properties of materials.

Jack is the NERSC PI on the Berkeley Lab Directed Research project that is delivering real-time data analysis to ALS scientists through ESNET and NERSC resources. He is the developer the ALS analysis and simulation web-portal at NERSC.

He received a Ph.D. from UC Berkeley in physics in 2011. His research centered on materials physics and nano-science: scaling many-body Green's function computational methods for the study of the optical properties of materials with large and complex structures.

Journal Articles

Taylor A. Barnes, Thorsten Kurth, Pierre Carrier, Nathan Wichmann, David Prendergast, Paul RC Kent, Jack Deslippe, "Improved treatment of exact exchange in Quantum ESPRESSO.", Computer Physics Communications, May 31, 2017,

MeiYue Shao, Lin Lin, Chao Yang, Fang Liu, Felipe H. Da Jornada, Jack Deslippe, Steven G. Louie, "Low rank approximation in G0W0 calculations.", Science China Mathematics, August 1, 2016,

SV Venkatakrishnan, K Aditya Mohan, Keith Beattie, Joaquin Correa, Eli Dart, Jack R Deslippe, Alexander Hexemer, Harinarayan Krishnan, Alastair A MacDowell, Stefano Marchesini, Simon J Patton, Talita Perciano, James A Sethian, Rune Stromsness, Brian L Tierney, Craig E Tull, Daniela Ushizima, Dilworth Y Parkinson, "Making Advanced Scientific Algorithms and Big Scientific Data Management More Accessible", Electronic Imaging, February 14, 2016, 2016 Is.:1,

Meiyue Shao, H Felipe, Chao Yang, Jack Deslippe, Steven G Louie, "Structure preserving parallel algorithms for solving the Bethe–Salpeter eigenvalue problem", Linear Algebra and its Applications, January 1, 2016, 488:148,

Michiel J van Setten, Fabio Caruso, Sahar Sharifzadeh, Xinguo Ren, Matthias Scheffler, Fang Liu, Johannes Lischner, Lin Lin, Jack R Deslippe, Steven G Louie, Chao Yang, Florian Weigend, Jeffrey B Neaton, Ferdinand Evers, Patrick Rinke, "GW 100: Benchmarking G 0 W 0 for molecular systems", Journal of chemical theory and computation, October 22, 2015, 11:5665,

Fang Liu, Lin Lin, Derek Vigil-Fowler, Johannes Lischner, Alexander F. Kemper, Sahar Sharifzadeh, Felipe Homrich da Jornada, Jack Deslippe, Chao Yang, Jeffrey B. Neaton, Steven G. Louie, "Numerical integration for ab initio many-electron self energy calculations within the GW approximation.", Journal of Computational Physics, April 1, 2015,

Jack Deslippe, Brian Austin, Chris Daley, Woo-Sun Yang, "Lessons learned from optimizing science kernels for Intel's "Knights-Corner" architecture", CISE, April 1, 2015,

Manish Jain, Jack Deslippe, Georgy Samsonidze, M.L. Cohen, J.R. Chelikowsky, S.G. Louie, "Improved quasiparticle wavefunctions and mean field for G0W0 calculations: Diagonalization of the static-COHSEX operator", Physical Review B, September 26, 2014,

Johannes Lischner, Sahar Sharifzadeh, Jack Deslippe, J. Neaton, and S. G. Louie, "Effects of Self-consistency and Plasmon-pole Models on GW Calculations for Closed-shell Molecules", Physical Review B, September 17, 2014,

Kin Fai Mak, Felipe H. da Jornada, Keliang He, Jack Deslippe, Nicholas Petrone, James Hone, Jie Shan, Steven G. Louie, and Tony F. Heinz, "Tuning Many-Body Interactions in Graphene: The Effects of Doping on Excitons and Carrier Lifetimes", Physical Review Letters, May 20, 2014, 112:207401,

Jack Deslippe, Georgy Samsonidze, Manish Jain, Marvin L Cohen, Steven G Louie, "Coulomb-hole summations and energies for GW calculations with limited number of empty orbitals: a modified static remainder approach", Physical Review B (arXiv preprint arXiv:1208.0266), 2013,

Jack Deslippe, Georgy Samsonidze, David Strubbe, Manish Jain, Marvin L. Cohen, Steven G. Louie, "BerkeleyGW: A Massively Parallel Computer Package for the Calculation of the Quasiparticle and Optical Properties of Materials", Comput. Phys. Comm., 2012,

Johannes Lischner, Jack Deslippe, Manish Jain, Steven G Louie, "First-Principles Calculations of Quasiparticle Excitations of Open-Shell Condensed Matter Systems", Physical Review Letters, 2012, 109:36406,

Kaihui Liu, Jack Deslippe, Fajun Xiao, Rodrigo B Capaz, Xiaoping Hong, Shaul Aloni, Alex Zettl, Wenlong Wang, Xuedong Bai, Steven G Louie, others, "An atlas of carbon nanotube optical transitions", Nature Nanotechnology, 2012, 7:325--329,

Georgy Samsonidze, Manish Jain, Jack Deslippe, Marvin L Cohen, Steven G Louie, "Simple Approximate Physical Orbitals for GW Quasiparticle Calculations", Physical Review Letters, 2011, 107:186404,

David A Siegel, Cheol-Hwan Park, Choongyu Hwang, Jack Deslippe, Alexei V Fedorov, Steven G Louie, Alessandra Lanzara, "Many-body interactions in quasi-freestanding graphene", Proceedings of the National Academy of Sciences, 2011, 108:11365--113,

Li Yang, Jack Deslippe, Cheol-Hwan Park, Marvin L Cohen, Steven G Louie, "Excitonic effects on the optical response of graphene and bilayer graphene", Physical review letters, 2009, 103:186802,

Jack Deslippe, Mario Dipoppa, David Prendergast, Marcus VO Moutinho, Rodrigo B Capaz, Steven G Louie, "Electron-Hole Interaction in Carbon Nanotubes: Novel Screening and Exciton Excitation Spectra", Nano Lett, 2009, 9:1330--1334,

Jack Deslippe, Catalin D Spataru, David Prendergast, Steven G Louie, "Bound excitons in metallic single-walled carbon nanotubes", Nano letters, 2007, 7:1626--1630,

Feng Wang, David J Cho, Brian Kessler, Jack Deslippe, P James Schuck, Steven G Louie, Alex Zettl, Tony F Heinz, Y Ron Shen, "Observation of excitons in one-dimensional metallic single-walled carbon nanotubes", Physical review letters, 2007, 99:227401,

Jack Deslippe, R Tedstrom, Murray S Daw, D Chrzan, T Neeraj, M Mills, "Dynamic scaling in a simple one-dimensional model of dislocation activity", Philosophical Magazine, 2004, 84:2445--2454,

Jianjun Dong, Jack Deslippe, Otto F Sankey, Emmanuel Soignard, Paul F McMillan, "Theoretical study of the ternary spinel nitride system Si 3 N 4-Ge 3 N 4", Physical Review B, 2003, 67:094104,

Conference Papers

Thorsten Kurth, William Arndt, Taylor Barnes, Brandon Cook, Jack Deslippe, Doug Doerfler, Brian Friesen, Yun (Helen) He, Tuomas Koskela, Mathieu Lobet, Tareq Malas, Leonid Oliker, Andrey Ovsyannikov, Samual Williams, Woo-Sun Yang, Zhengji Zhao, "Analyzing Performance of Selected NESAP Applications on the Cori HPC System", International Conference on High Performance Computing, June 22, 2017,

D Doerfler, B Austin, B Cook, J Deslippe, K Kandalla, P Mendygral, "Evaluating the Networking Characteristics of the Cray XC-40 Intel Knights Landing Based Cori Supercomputer at NERSC", Cray User Group (CUG) 2017, Redmond, WA, May 9, 2017,

T. Barnes, B. Cook, J. Deslippe, D. Doerfler, B. Friesen, Y.H. He, T. Kurth, T. Koskela, M. Lobet, T. Malas, L. Oliker, A. Ovsyannikov, A. Sarje, J.-L. Vay, H. Vincenti, S. Williams, P. Carrier, N. Wichmann, M. Wagner, P. Kent, C. Kerr, J. Dennis, "Evaluating and Optimizing the NERSC Workload on Knights Landing", PMBS 2016: 7th International Workshop on Performance Modeling, Benchmarking and Simulation of High Performance Computer Systems. Supercomputing Conference, Salt Lake City, UT, USA, IEEE, November 13, 2016, LBNL LBNL-1006681, doi: 10.1109/PMBS.2016.010

Douglas Doerfler, Jack Deslippe, Samuel Williams, Leonid Oliker, Brandon Cook, Thorsten Kurth, Mathieu Lobet, Tareq M. Malas, Jean-Luc Vay, Henri Vincenti, "Applying the Roofline Performance Model to the Intel Xeon Phi Knights Landing Processor", ISC Workshops, 2016, doi: 10.1007/978-3-319-46079-6_24

Tareq Malas, Thorsten Kurth, Jack Deslippe, "Optimization of the sparse matrix-vector products of an IDR Krylov iterative solver in EMGeo for the Intel KNL manycore processor", Springer Lecture Notes in Computer Science, October 6, 2016,

Jack, Deslippe, Felipe H. da Jornada, Derek Vigil-Fowler, Taylor Barnes, Nathan Wichmann, Karthik Raman, Ruchira Sasanka, Steven G. Louie, "Optimizing Excited-State Electronic-Structure Codes for Intel Knights Landing: A Case Study on the BerkeleyGW Software.", Springer Lecture Notes in Computer Science (ISC 2016), Springer International Publishing, October 6, 2016, 402,

Alice Koniges, Brandon Cook, Jack Deslippe, Thorston Kurth, Hongzhang Shan, "MPI usage at NERSC: Present and Future", EuroMPI 2016, Edinburgh, Scotland, UK, September 26, 2016,

Zhaoyi Meng, Alice Koniges, Yun (Helen) He, Samuel Williams, Thorsten Kurth, Brandon Cook, Jack Deslippe, Andrea L. Bertozzi, "OpenMP Parallelization and Optimization of Graph-Based Machine Learning Algorithms", Lecture Notes in Computer Science, Springer, 2016, 9903:17-31, doi: 10.1007/978-3-319-45550-1_2

Dilworth Y. Parkinson, Keith Beattie, Xian Chen, Joaquin Correa, Eli Dart, Benedikt J. Daurer, Jack R. Deslippe, Alexander Hexemer, Harinarayan Krishnan, Alastair A. MacDowell, Filipe R. N. C. Maia, Stefano Marchesini, Howard A. Padmore, Simon J. Patton, Talita Perciano, James A. Sethian, David Shapiro, Rune Stromsness, Nobumichi Tamura, Brian L. Tierney, Craig E. Tull, Daniela Ushizima, "Real-time data-intensive computing.", AIP Conference Proceedings, July 2016, 1741,

Jack Deslippe, Abdelilah Essiari, Simon J. Patton, Taghrid Samak, Craig E. Tull, Alexander Hexemer, Dinesh Kumar, Dilworth Parkinson, Polite Stewart., "Workflow management for real-time analysis of lightsource experiments", Proceedings of the 9th Workshop on Workflows in Support of Large-Scale Science (SC14), November 16, 2014, 31-40,

Justin Blair, Richard S. Canon, Jack Deslippe, Abdelilah Essiari, Alexander Hexemer, Alastair A. MacDowell, Dilworth Y. Parkinson, Simon J. Patton, Lavanya Ramakrishnan, Nobumichi Tamura, Brian L. Tierney, Craig E. Tull, "High performance data management and analysis for tomography", Proc. SPIE 9212, Developments in X-Ray Tomography IX, September 12, 2014,

Jack Deslippe, Zhengji Zhao, "Comparing Compiler and Library Performance in Material Science Applications on Edison", Paper. Proceedings of the Cray User Group 2013, 2013,

Megan Bowling, Zhengji Zhao and Jack Deslippe, "The Effects of Compiler Optimizations on Materials Science and Chemistry Applications at NERSC", A paper presented in the Cray User Group meeting, Apri 29-May-3, 2012, Stuttgart, German., May 3, 2012,

Jack Deslippe, Steven G Louie, "Excitons and many-electron effects in the optical response of carbon nanotubes and other one-dimensional nanostructures", Proceedings of SPIE, the International Society for Optical Engineering, 2008, 68920U--1,

Book Chapters

Sudip Dosanjh, Shane Canon, Jack Deslippe, Kjiersten Fagnan, Richard Gerber, Lisa Gerhardt, Jason Hick, Douglas Jacobsen, David Skinner, Nicholas J. Wright, "Extreme Data Science at the National Energy Research Scientific Computing (NERSC) Center", Proceedings of International Conference on Parallel Programming – ParCo 2013, ( March 26, 2014)

Jack Deslippe, S.G. Louie, "Ab initio Theories of the Structural, Electronic, and Optical Properties of Semiconductors: Bulk Systems to Nanostructures.", Comprehensive Semiconductor Science and Technology., (Elsevier: 2011) Pages: 42-76

Presentation/Talks

R Gerber, J Deslippe, D Doerfler, Many Cores for the Masses: Lessons Learned from Application Readiness Efforts at NERSC for the Knights Landing based Cori System, Intel HPC Developers Conference, November 12, 2016,

Zhaoyi Meng, Alice Koniges, Yun (Helen) He, Samuel Williams, Thorsten Kurth, Brandon Cook, Jack Deslippe, Andrea L. Bertozzi, OpenMP Parallelization and Optimization of Graph-based Machine Learning Algorithms, IWOMP 2016, October 6, 2016,

Alice Koniges, Brandon Cook, Jack Deslippe, Thorston Kurth, Hongzhang Shan, MPI usage at NERSC: Present and Future, EuroMPI 2016, September 26, 2016,

Jack Deslippe, NERSC, Preparing Applications for Future NERSC Architectures, February 6, 2014,

Jack Deslippe, Building Applications on Edison, October 10, 2013,

Megan Bowling, Zhengji Zhao and Jack Deslippe, The Effects of Compiler Optimizations on Materials Science and Chemistry Applications at NERSC, A talk in the Cray User Group meeting, Apri 29-May-3, 2012, Stuttgart, German., May 3, 2012,

Jack Deslippe, Manish Jain, Georgy Samsonidze, Marvin Cohen, Steven Louie, The sc-COHSEX+ GW and the static off-diagonal GW approaches to quasiparticle wavefunctions and energies, Bulletin of the American Physical Society, 2011,

Jack Deslippe, Cheol-Hwan Park, Manish Jain, Steven Louie, First-principles Calculations of the Quasiparticle and Optical Excitations in Metallic Carbon Nanostructures, Bulletin of the American Physical Society, 2010,

Jack Deslippe, David Prendergast, Steven Louie, Nonlinear Optical Properties of Carbon Nanotubes from First Principles, Bulletin of the American Physical Society, 2009,

Jack Deslippe, Mario Dipoppa, David Prendergast, Rodrigo Capaz, Steven Louie, Effective One-Dimensional Electron-Hole Interaction in Single-Walled Carbon Nanotubes, Bulletin of the American Physical Society, 2008,

Jack Deslippe, David Prendergast, Steven Louie, Electron Self-Energy Corrections to Quasiparticle Excitations in Graphene and Large Diameter Single-Walled Carbon Nanotubes, Bulletin of the American Physical Society, 2007,

Jack Deslippe, Catalin Spataru, Steven Louie, Bound excitons and optical absorption spectra of (10, 10) metallic single-walled carbon nanotubes, Bulletin of the American Physical Society, 2006,

Deslippe Jack, Jianjun Dong, First principles calculations of thermodynamical properties of cage-like silicon clathrate materials, APS Meeting Abstracts, Pages: 25002 2003,

Posters

Alice Koniges, Brandon Cook, Jack Deslippe, Thorston Kurth, Hongzhang Shan, "MPI usage at NERSC: Present and Future", EuroMPI 2016, September 26, 2016,