XRAYPAC Publications

• Z. Jurek, S.-K. Son, B. Ziaja and R. Santra, J. Appl. Cryst. 49, 1048 (2016) — first release of XRAYPAC.
• S.-K. Son, L. Young and R. Santra, Phys. Rev. A 83, 033402 (2011) — first introducing XATOM.
• Y. Hao et al., Struct. Dyn. 2, 041707 (2015) — first introducing XMOLECULE.
• B. Murphy et al., Nat. Commun. 5, 4281 (2014) — first introducing XMDYN.

Basic implementation
• S.-K. Son, L. Young and R. Santra, Phys. Rev. A 83, 033402 (2011) — first introducing XATOM.
• S.-K. Son and R. Santra, Phys. Rev. A 85, 063415 (2012) — Monte Carlo approach.
• K. Toyota, S.-K. Son and R. Santra, Phys. Rev. A 95, 043412 (2017) — relativity and resonance.
• L. Budewig, S.-K. Son and R. Santra, Phys. Rev. A 105, 033111 (2022) — improved electronic structure.
• L. Budewig, S.-K. Son and R. Santra, Phys. Rev. A 107, 013102 (2023) — state-resolved ionization dynamics.
  
  Gas-phase atomic experiments at LCLS, SACLA, and EuXFEL
• G. Doumy et al., Phys. Rev. Lett. 106, 083002 (2011) — Ne at LCLS.
• B. Rudek et al., Nature Photon. 6, 858-865 (2012) — Xe at LCLS.
• B. Rudek et al., Phys. Rev. A 87, 023413 (2013) — Kr at LCLS.
• B. Rudek et al., Nat. Commun. 9, 4200 (2018) — Xe at LCLS.
• H. Fukuzawa et al., Phys. Rev. Lett. 110, 173005 (2013) — Xe at SALCA.
• K. Motoruma et al., J. Phys. B 46, 164024 (2013) — Ar and Xe at SACLA.
• A. C. LaForge et al., Phys. Rev. Lett. 127, 213202 (2021) — Ar at EuXFEL.
  
  X-ray molecular imaging
• S.-K. Son, H. N. Chapman and R. Santra, Phys. Rev. Lett. 107, 218102 (2011) — high-intensity MAD.
• S.-K. Son, H. N. Chapman and R. Santra, J. Phys. B 46, 164015 (2013) — high-intensity MAD.
• J. M. Slowik et al., New J. Phys. 16, 073042 (2014) — Compton scattering.
• S.-K. Son, O. Geffert and R. Santra, J. Phys. B 50, 064003 (2017) — Compton scattering.
• L. Galli et al., J. Synchrotron Rad. 22, 249-255 (2015) — high-intensity RIP.
• L. Galli et al., Struct. Dyn. 2, 041703 (2015) — high-intensity RIP.
• L. Galli et al., IUCrJ 2, 627-634 (2015) — high-intensity phasing.
  
  Plasma application
• R. Thiele et al., Phys. Rev. A 86, 033411 (2012) — Debye model.
• S.-K. Son et al., Phys. Rev. X 4, 031004 (2014) — two-step model.
• J. J. Bekx et al., Phys. Rev. A 98, 022701 (2018) — impact ionization.
• R. Jin et al., Phys. Rev. E 103, 023203 (2021) — ionization potential depression.
• R. Jin et al., Phys. Rev. E 106, 015206 (2022) — ionization potential depression.
  
  X-ray parameter calibration
• K. Toyota et al., J. Synchrotron Radiat. 26, 1017-1030 (2019) — XCALIB.
• N. Breckwoldt et al., Phys. Rev. Res. 5, 023114 (2023) — EXCALIB.

Basic implementation
• Y. Hao et al., Struct. Dyn. 2, 041707 (2015) — first introducing XMOLECULE.
• L. Inhester et al., Phys. Rev. A 94, 023422 (2016).
  
  Ionization and fragmentation dynamics at high intensity
• A. Rudenko et al., Nature 546, 129-132 (2017).
• Y. Hao et al., Phys. Rev. A 100, 013402 (2019).
• T. Jahnke et al., Phys. Rev. X 11, 041044 (2021).
• X. Li et al., Phys. Rev. Lett. 127, 093202 (2021).
• X. Li et al., Sci. Rep. 11, 505 (2021).
• M. Obermeyer Phys. Rev. A 104, 023115 (2021)
  
  X-ray spectroscopy
• L. Inhester et al., J. Phys. Chem. Lett. 9, 1156-1163 (2018).
• J. Schäfer et al., Phys. Rev. A 97, 053415 (2018).
• S. Bari et al., Phys. Chem. Chem. Phys. 21, 16505-16514 (2019).
• Y. Hao et al. Phys. Rev. A 100, 013402
• L. Inhester et al., J. Phys. Chem. Lett. 10, 6536-6544 (2019).
• K. Khalili et al., Struct. Dyn. 6, 044102 (2019).
• C. Arnold et al., J. Chem. Phys. 150, 044505 (2019).
• C. Arnold et al., J. Phys. B 53, 164006 (2020).
• K. Khalili et al., Struct. Dyn. 7, 044101 (2020).
• Z.-H. Loh et al., Science 367, 179-182 (2020).
• Y. Shakya et al., Struct. Dyn. 8, 034102 (2021).
• F. Allum et al., Comm. Chem. 5, 43 (2022)
• Z. Yin et al., Nature 619, 749-754 (2023).

Spectroscopy with XFEL radiation
• B. Murphy et al., Nat. Commun. 5, 4281 (2014) — first introducing XMDYN.
• N. Berrah et al., Faraday Discuss. 171, 471 (2014).
• L. Fang et al., J. Phys. Conf. Ser. 601, 012006 (2015).
• N. Berrah et al., Nat. Phys. 15, 1279-1283 (2019).
  
  Spectroscopy with synchrotron radiation
• Z. Jurek, B. Ziaja and R. Santra, J. Phys. B 47, 124036 (2014).
  
  Nanoplasma formation of atomic clusters
• T. Tachibana et al., Sci. Rep. 5, 10977 (2015).
• Y. Kumagai et al., Phys. Rev. Lett. 120, 223201 (2018).
• Y. Kumagai et al., Phys. Rev. A 101, 023412 (2020).
• Y. Kumagai et al., J. Phys. B 54, 044001 (2021).
  
  X-ray molecular imaging
• C. H. Yoon et al., Sci. Rep. 6, 24791 (2016).
• M. M. Abdullah et al., J. Phys. Conf. Ser. 635, 102208 (2015).
• M. M. Abdullah et al., Struct. Dyn. 3, 054101 (2016).
• C. Fortmann-Grote et al., IUCrJ 4, 560-568 (2017).
• M. M. Abdullah et al., IUCrJ 5, 699-705 (2018).
• K. Nass et al., Nat. Commun. 11, 1814 (2020).
• J. E et al., Sci. Rep. 11, 17976 (2021).
• R. Boll et al., Nat. Phys. 18, 423-428 (2022).
  
  Towards multistep simulations with XMDYN and XHYDRO
• V. Saxena et al., High Energy Density Phys. 15, 93 (2015).
• V. Saxena and B. Ziaja, Phys. Plasmas 23, 012710 (2016).