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SaveToward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids-A case study in diamond
Benali, Anouar; Gasperich, Kevin; Jordan, Kenneth D.; Applencourt, Thomas; Luo, Ye; Bennett, M. Chandler; Krogel, Jaron T.; Shulenburger, Luke; Kent, Paul R. C.; Loos, Pierre-Francois; Scemama, Anthony; Caffarel, Michel
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SaveQMCPACK: Advances in the development, efficiency, and application of auxiliary field and real-space variational and diffusion quantum Monte Carlo
Kent, P. R. C.; Annaberdiyev, Abdulgani; Benali, Anouar; Bennett, M. Chandler; Borda, Edgar Josue Landinez; Doak, Peter; Hao, Hongxia; Jordan, Kenneth D.; Krogel, Jaron T.; Kylanpaa, Ilkka; Lee, Joonho; Luo, Ye; Malone, Fionn D.; Melton, Cody A.; Mitas, Lubos; Morales, Miguel A.; Neuscamman, Eric; Reboredo, Fernando A.; Rubenstein, Brenda; Saritas, Kayahan; Upadhyay, Shiv; Wang, Guangming; Zhang, Shuai; Zhao, Luning
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SaveMolecular-level origin of the carboxylate head group response to divalent metal ion complexation at the air-water interface
Denton, Joanna K.; Kelleher, Patrick J.; Johnson, Mark A.; Baer, Marcel D.; Kathmann, Shawn M.; Mundy, Christopher J.; Rudd, Bethany A. Wellen; Allen, Heather C.; Choi, Tae Hoon; Jordan, Kenneth D.
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SaveGoing large(r): general discussion
Ahmed, Musahid; Daly, Steven; Dessent, Caroline; Dopfer, Otto; Gabelica, Valerie; Gaigeot, Marie-Pierre; Gatchell, Michael; Gerber, Benny; Gibbard, Jemma; Johnson, Christopher; Johnson, Mark; Jordan, Kenneth; Krylov, Anna; Lovelock, Kevin; Mayer, Martin; McCaslin, Laura; McCoy, Anne B.; Neumark, Daniel; Nielsen, Steen Brondsted; Oomens, Jos; Rijs, Anouk; Rizzo, Thomas; Roithova, Jana; Simons, Jack; Stockett, Mark; Trevitt, Adam; Verlet, Jan; Wang, Xue-Bin; Wester, Roland; Xantheas, Sotiris
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SaveControlling internal degrees: general discussion
Ahmed, Musahid; Asmis, Knut; Avdonin, Ivan; Beyer, Martin K.; Bieske, Evan; Bougueroua, Sana; Chou, Chin-wen; Daly, Steven; Dopfer, Otto; Ellis-Gibbings, Lilian; Gabelica, Valerie; Gaigeot, Marie-Pierre; Gatchell, Michael; Gerber, Benny; Johnson, Christopher; Johnson, Mark; Jordan, Kenneth; Krylov, Anna; Mayer, Martin; McCaslin, Laura; McCoy, Anne B.; Neumark, Daniel; Oncak, Milan; Oomens, Jos; Rijs, Anouk; Rizzo, Thomas; Roithova, Jana; Sarre, Peter; Schlemmer, Stephan; Simons, Jack; Stockett, Mark; Trevitt, Adam; Verlet, Jan; Wang, Xue-Bin; Wester, Roland; Willitsch, Stefan; Xantheas, Sotiris
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SavePushing resolution in frequency and time: general discussion
Simons, Jack; Johnson, Mark; Asmis, Knut; McCoy, Anne B.; Daly, Steven; Wester, Roland; Rijs, Anouk; Sarre, Peter; Gaigeot, Marie-Pierre; Mabbs, Richard; Jordan, Kenneth; Dessent, Caroline; Neumark, Daniel; Chou, Chin-wen; Gerber, Benny; Dopfer, Otto; Oomens, Jos; Krylov, Anna; Schlemmer, Stephan; Willitsch, Stefan; Verlet, Jan; Wild, Robert; Gatchell, Michael; Stockett, Mark; Roithova, Jana; Beyer, Martin K.; Xantheas, Sotiris; Gibbard, Jemma; Dohnal, Petr
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