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Volumn 109, Issue 35, 2012, Pages 13928-13933

Application of compressed sensing to the simulation of atomic systems

Author keywords

Electron dynamics; Molecular dynamics; Sparse signal reconstruction

Indexed keywords

ANALYTIC METHOD; ARTICLE; ATOM; CALCULATION; CIRCULAR DICHROISM; COMPRESSED SENSING; CONTROLLED STUDY; COST CONTROL; ELECTRONICS; FOURIER TRANSFORMATION; MATHEMATICAL MODEL; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; SPECTRUM; VIBRATION;

EID: 84865534044     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1209890109     Document Type: Article
Times cited : (51)

References (41)
  • 1
    • 31744440684 scopus 로고    scopus 로고
    • Robust uncertainty principles: Exact signal reconstruction from highly incomplete frequency information
    • DOI 10.1109/TIT.2005.862083
    • Candes E, Romberg J, Tao T (2006) Robust uncertainty principles: Exact signal reconstruction from highly incomplete frequency information. IEEE Trans Inf Theory 52:489-509. (Pubitemid 43174093)
    • (2006) IEEE Transactions on Information Theory , vol.52 , Issue.2 , pp. 489-509
    • Candes, E.J.1    Romberg, J.2    Tao, T.3
  • 2
    • 33645712892 scopus 로고    scopus 로고
    • Compressed sensing
    • Donoho D (2006) Compressed sensing. IEEE Trans Inf Theory 52:1289-1306.
    • (2006) IEEE Trans Inf Theory , vol.52 , pp. 1289-1306
    • Donoho, D.1
  • 3
    • 77952678579 scopus 로고    scopus 로고
    • Applications of sparse representation and compressive sensing
    • Baraniuk R, Candes E, Elad M, Ma Y (2010) Applications of sparse representation and compressive sensing. Proc IEEE 98:906-909.
    • (2010) Proc IEEE , vol.98 , pp. 906-909
    • Baraniuk, R.1    Candes, E.2    Elad, M.3    Ma, Y.4
  • 4
    • 36849088522 scopus 로고    scopus 로고
    • Sparse MRI: The application of compressed sensing for rapid MR imaging
    • DOI 10.1002/mrm.21391
    • Lustig M, Donoho D, Pauly JM (2007) Sparse MRI: The application of compressed sensing for rapid MR imaging. Magn Reson Med 58:1182-1195. (Pubitemid 350234205)
    • (2007) Magnetic Resonance in Medicine , vol.58 , Issue.6 , pp. 1182-1195
    • Lustig, M.1    Donoho, D.2    Pauly, J.M.3
  • 5
    • 79952377809 scopus 로고    scopus 로고
    • Efficient measurement of quantum dynamics via compressive sensing
    • Shabani A, et al. (2011) Efficient measurement of quantum dynamics via compressive sensing. Phys Rev Lett 106:100401.
    • (2011) Phys Rev Lett , vol.106 , pp. 100401
    • Shabani, A.1
  • 6
    • 80052557723 scopus 로고    scopus 로고
    • Direct inference of protein DNA interactions using compressed sensing methods
    • Al Quraishi M, McAdams HH (2011) Direct inference of protein DNA interactions using compressed sensing methods. Proc Natl Acad Sci USA 108:14819-14824.
    • (2011) Proc Natl Acad Sci USA , vol.108 , pp. 14819-14824
    • Al Quraishi, M.1    McAdams, H.H.2
  • 7
    • 84865537531 scopus 로고    scopus 로고
    • Compressive Fourier transform spectroscopy
    • (Optical Society of America, Washington, DC), Available at arXiv:1006.2553, p FTuE3
    • Katz O, Levitt JM, Silberberg Y (2010) Compressive Fourier transform spectroscopy. Frontiers in Optics (Optical Society of America, Washington, DC), Available at arXiv:1006.2553, p FTuE3.
    • (2010) Frontiers in Optics
    • Katz, O.1    Levitt, J.M.2    Silberberg, Y.3
  • 11
    • 0012597289 scopus 로고
    • Density-functional theory for time-dependent systems
    • Runge E, Gross EKU (1984) Density-functional theory for time-dependent systems. Phys Rev Lett 52:997-1000.
    • (1984) Phys Rev Lett , vol.52 , pp. 997-1000
    • Runge, E.1    Gross, E.K.U.2
  • 12
    • 0001456831 scopus 로고    scopus 로고
    • Time-dependent local-density approximation in real time
    • Yabana K, Bertsch GF (1996) Time-dependent local-density approximation in real time. Phys Rev B 54:4484-4487.
    • (1996) Phys Rev B , vol.54 , pp. 4484-4487
    • Yabana, K.1    Bertsch, G.F.2
  • 15
    • 39349093380 scopus 로고    scopus 로고
    • Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules
    • Takimoto Y, Vila FD, Rehr JJ (2007) Real-time time-dependent density functional theory approach for frequency-dependent nonlinear optical response in photonic molecules. J Chem Phys 127:154114.
    • (2007) J Chem Phys , vol.127 , pp. 154114
    • Takimoto, Y.1    Vila, F.D.2    Rehr, J.J.3
  • 16
    • 84861109392 scopus 로고    scopus 로고
    • Time-dependent density-functional theory in massively parallel computer architectures: The octopus project
    • Andrade X, et al. (2012) Time-dependent density-functional theory in massively parallel computer architectures: The octopus project. J Phys Condens Matter 24:233202.
    • (2012) J Phys Condens Matter , vol.24 , pp. 233202
    • Andrade, X.1
  • 17
    • 85032751965 scopus 로고    scopus 로고
    • Compressive sensing
    • Baraniuk R (2007) Compressive sensing. IEEE Signal Proc Mag 24:118-121.
    • (2007) IEEE Signal Proc Mag , vol.24 , pp. 118-121
    • Baraniuk, R.1
  • 18
    • 85032750937 scopus 로고    scopus 로고
    • An introduction to compressive sampling
    • Candes E, Wakin M (2008) An introduction to compressive sampling. IEEE Signal Proc Mag 25:21-30.
    • (2008) IEEE Signal Proc Mag , vol.25 , pp. 21-30
    • Candes, E.1    Wakin, M.2
  • 20
    • 0000551515 scopus 로고
    • Computer simulation of the lattice dynamics of solids
    • Dickey JM, Paskin A (1969) Computer simulation of the lattice dynamics of solids. Phys Rev 188:1407-1418.
    • (1969) Phys Rev , vol.188 , pp. 1407-1418
    • Dickey, J.M.1    Paskin, A.2
  • 22
    • 77956972092 scopus 로고    scopus 로고
    • Time-dependent density functional response theory of molecular systems: Theory, computational methods, and functionals
    • Elsevier, Amsterdam
    • Casida M (1996) Time-dependent density functional response theory of molecular systems: Theory, computational methods, and functionals. Recent Developments and Applications of Modern Density Functional Theory (Elsevier, Amsterdam) p 391.
    • (1996) Recent Developments and Applications of Modern Density Functional Theory , pp. 391
    • Casida, M.1
  • 23
    • 34248348289 scopus 로고    scopus 로고
    • Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities
    • Andrade X, Botti S, Marques MAL, Rubio A (2007) Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities. J Chem Phys 126:184106.
    • (2007) J Chem Phys , vol.126 , pp. 184106
    • Andrade, X.1    Botti, S.2    Marques, M.A.L.3    Rubio, A.4
  • 25
    • 66749139058 scopus 로고    scopus 로고
    • Towards a gauge invariant method for molecular chiroptical properties in TDDFT
    • Varsano D, et al. (2009) Towards a gauge invariant method for molecular chiroptical properties in TDDFT. Phys Chem Chem Phys 11:4481-4489.
    • (2009) Phys Chem Chem Phys , vol.11 , pp. 4481-4489
    • Varsano, D.1
  • 26
    • 65649137930 scopus 로고    scopus 로고
    • Probing the Pareto frontier for basis pursuit solutions
    • van den Berg E, Friedlander MP (2009) Probing the Pareto frontier for basis pursuit solutions. SIAM J Sci Comput 31:890-912.
    • (2009) SIAM J Sci Comput , vol.31 , pp. 890-912
    • Van Den Berg, E.1    Friedlander, M.P.2
  • 28
    • 4243943295 scopus 로고    scopus 로고
    • Generalized gradient approximation made simple
    • Perdew JP, Burke K, Ernzerhof M (1996) Generalized gradient approximation made simple. Phys Rev Lett 77:3865-3868. (Pubitemid 126631804)
    • (1996) Physical Review Letters , vol.77 , Issue.18 , pp. 3865-3868
    • Perdew, J.P.1    Burke, K.2    Ernzerhof, M.3
  • 29
    • 50649084083 scopus 로고    scopus 로고
    • Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory
    • Alonso JL, et al. (2008) Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory. Phys Rev Lett 101:096403.
    • (2008) Phys Rev Lett , vol.101 , pp. 096403
    • Alonso, J.L.1
  • 30
    • 65249161145 scopus 로고    scopus 로고
    • Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics
    • Andrade X, et al. (2009) Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamics. J Chem Theory Comput 5:728-742.
    • (2009) J Chem Theory Comput , vol.5 , pp. 728-742
    • Andrade, X.1
  • 31
    • 0000109748 scopus 로고    scopus 로고
    • Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation
    • Curtiss LA, Raghavachari K, Redfern PC, Pople JA (1997) Assessment of Gaussian-2 and density functional theories for the computation of enthalpies of formation. J Chem Phys 106:1063-1079. (Pubitemid 127627025)
    • (1997) Journal of Chemical Physics , vol.106 , Issue.3 , pp. 1063-1079
    • Curtiss, L.A.1    Raghavachari, K.2    Redfern, P.C.3    Pople, J.A.4
  • 32
    • 0000120325 scopus 로고
    • Experimental and quantum-theoretical investigation of the circular dichroism spectrum of R-methyloxirane
    • Carnell M, et al. (1991) Experimental and quantum-theoretical investigation of the circular dichroism spectrum of R-methyloxirane. Chem Phys Lett 180:477-481.
    • (1991) Chem Phys Lett , vol.180 , pp. 477-481
    • Carnell, M.1
  • 33
    • 33646145933 scopus 로고    scopus 로고
    • Real-time, real-space implementation of the linear response time-dependent density-functional theory
    • DOI 10.1002/pssb.200642005
    • Yabana K, Nakatsukasa T, Iwata JI, Bertsch GF (2006) Real-time, real-space implementation of the linear response time-dependent density-functional theory. Phys Status Solidi B 243:1121-1138. (Pubitemid 43633045)
    • (2006) Physica Status Solidi (B) Basic Research , vol.243 , Issue.5 , pp. 1121-1138
    • Yabana, K.1    Nakatsukasa, T.2    Iwata, J.-I.3    Bertsch, G.F.4
  • 34
    • 79954586418 scopus 로고    scopus 로고
    • Magnetic circular dichroism in real-time time-dependent density functional theory
    • Lee KM, Yabana K, Bertsch GF (2011) Magnetic circular dichroism in real-time time-dependent density functional theory. J Chem Phys 134:144106.
    • (2011) J Chem Phys , vol.134 , pp. 144106
    • Lee, K.M.1    Yabana, K.2    Bertsch, G.F.3
  • 35
    • 67649094316 scopus 로고    scopus 로고
    • Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics
    • Ceotto M, Atahan S, Tantardini GF, Aspuru-Guzik A (2009) Multiple coherent states for first-principles semiclassical initial value representation molecular dynamics. J Chem Phys 130:234113.
    • (2009) J Chem Phys , vol.130 , pp. 234113
    • Ceotto, M.1    Atahan, S.2    Tantardini, G.F.3    Aspuru-Guzik, A.4
  • 36
    • 33745318366 scopus 로고    scopus 로고
    • Two-dimensional optical three-pulse photon echo spectroscopy. I. Nonperturbative approach to the calculation of spectra
    • Mančal T, Pisliakov AV, Fleming GR (2006) Two-dimensional optical three-pulse photon echo spectroscopy. I. Nonperturbative approach to the calculation of spectra. J Chem Phys 124:234504.
    • (2006) J Chem Phys , vol.124 , pp. 234504
    • Mančal, T.1    Pisliakov, A.V.2    Fleming, G.R.3
  • 37
    • 79954538987 scopus 로고    scopus 로고
    • Quantum process tomography of excitonic dimers from two-dimensional electronic spectroscopy. I. General theory and application to homodimers
    • Yuen-Zhou J, Aspuru-Guzik A (2011) Quantum process tomography of excitonic dimers from two-dimensional electronic spectroscopy. I. General theory and application to homodimers. J Chem Phys 134:134505.
    • (2011) J Chem Phys , vol.134 , pp. 134505
    • Yuen-Zhou, J.1    Aspuru-Guzik, A.2
  • 39
    • 33747581732 scopus 로고
    • Image reconstruction from incomplete and noisy data
    • Gull S, Daniell G (1978) Image reconstruction from incomplete and noisy data. Nature 272:686-690.
    • (1978) Nature , vol.272 , pp. 686-690
    • Gull, S.1    Daniell, G.2
  • 40
    • 35248859308 scopus 로고    scopus 로고
    • 1-norm reconstruction
    • DOI 10.1016/j.jmr.2007.07.008, PII S109078070700211X
    • Stern AS, Donoho DL, Hoch JC (2007) NMR data processing using iterative thresholding and minimum l1-norm reconstruction. J Magn Reson 188:295-300. (Pubitemid 47562806)
    • (2007) Journal of Magnetic Resonance , vol.188 , Issue.2 , pp. 295-300
    • Stern, A.S.1    Donoho, D.L.2    Hoch, J.C.3
  • 41
    • 0000675609 scopus 로고
    • Optical absorption of benzene vapour for photon energies from 6 eV to 35 eV
    • Koch E, Otto A (1972) Optical absorption of benzene vapour for photon energies from 6 eV to 35 eV. Chem Phys Lett 12:476-480.
    • (1972) Chem Phys Lett , vol.12 , pp. 476-480
    • Koch, E.1    Otto, A.2


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