Requirements for an accurate dispersion-corrected density functional von Price, Alastair J. A., Bryenton, Kyle R., Johnson, Erin R.

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XDM-corrected hybrid DFT with numerical atomic orbitals predicts molecular crystal lattice energies with unprecedented accuracy von Price, Alastair J. A, Otero-de-la-Roza, Alberto, Johnson, Erin R

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A density-functional benchmark of vibrational free-energy corrections for molecular crystal polymorphism von Weatherby, Joseph A., Rumson, Adrian F., Price, Alastair J. A., Otero de la Roza, Alberto, Johnson, Erin R.

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Comparison of Density-Functional Theory Dispersion Corrections for the DES15K Database von Nickerson, Cameron J., Bryenton, Kyle R., Price, Alastair J. A., Johnson, Erin R.

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Theoretical investigation of amino-acid adsorption on hydroxylated quartz surfaces: dispersion can determine enantioselectivity von Price, Alastair J, Johnson, Erin R

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Accurate and efficient polymorph energy ranking with XDM-corrected hybrid DFT von Price, Alastair J. A, Mayo, R. Alex, Otero-de-la-Roza, Alberto, Johnson, Erin R

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Assessment of the exchange‐hole dipole moment dispersion correction for the energy ranking stage of the seventh crystal structure prediction blind test von Mayo, R. Alex, Price, Alastair J. A., Otero-de-la-Roza, Alberto, Johnson, Erin R.

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Reducing training data needs with minimal multilevel machine learning (M3L) von Heinen, Stefan, Khan, Danish, Falk von Rudorff, Guido, Karandashev, Konstantin, Jose Arismendi Arrieta, Daniel, Price, Alastair J A, Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, Anatole von Lilienfeld, O

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Pure Blue Emitting Poly(3,6-dimethoxy-9,9-dialkylsilafluorenes) Prepared via Nickel-Catalyzed Cross-Coupling of Diarylmagnesate Monomers von McDowell, Jeffrey J, Schick, Isabel, Price, Alastair, Faulkner, Daniel, Ozin, Geoffrey

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Measurement of absolute photoluminescence quantum yields using integrating spheres - Which way to go? von Faulkner, D.O., McDowell, J.J., Price, A.J., Perovic, D.D., Kherani, N.P., Ozin, G.A.

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Requirements for an accurate dispersion-corrected densityfunctional von Price Alastair J A, Bryenton Kyle R

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Adaptive hybrid density functionals von Khan, Danish, Price, Alastair James Arthur, Ach, Maximilian L, von Lilienfeld, O. Anatole

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Reducing training data needs with minimal multilevel machine learning (M3L) von Heinen, Stefan, Khan, Danish, Falk von Rudorff, Guido, Karandashev, Konstantin, Arismendi Arrieta, Daniel Jose, Price, Alastair J. A, Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, von Lilienfeld, O. Anatole

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Reducing Training Data Needs with Minimal Multilevel Machine Learning (M3L) von Heinen, Stefan, Khan, Danish, von Rudorff, Guido Falk, Karandashev, Konstantin, Arrieta, Daniel Jose Arismendi, Price, Alastair J. A, Nandi, Surajit, Bhowmik, Arghya, Hermansson, Kersti, von Lilienfeld, O. Anatole

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The seventh blind test of crystal structure prediction: structure ranking methods von Hunnisett, Lily M, Francia, Nicholas, Nyman, Jonas, Abraham, Nathan S, Alkhidir, Tamador, Almehairbi, Mubarak, Anstine, Dylan M, Bahrami, Faezeh, Bellucci, Michael A, Bis, Joanna A, Butler, Patrick WV, Carino, Stephen, Chan, Eric J, Chang, Chao, Clarke, Sarah M, Coles, Simon J, Cook, Cameron J, Cooper, Richard I, Day, Graeme M, Deng, Wenda, DiPasquale, Antonio, Dhokale, Bhausaheb, van Eijck, Bouke P, Firaha, Dzmitry, Fu, Wenbo, Goto, Hitoshi, Greenwell, Chandler, Guo, Rui, Hušák, Michal, Ikabata, Yasuhiro, Ishaque, Ommair, Jain, Varsha, Jin, Yingdi, Jones, Ian, Kabova, Elena A, Keates, Adam, Kelly, Paul F, Klimeš, Jiří, Kostková, Veronika, Li, He, Lin, Xiaolu, Liu, Congcong, Liu, Yifei Michelle, Liu, Zenghui, Lončarić, Ivor, Lubach, Joseph W, Ludík, Jan, Maryewski, Alexander A, Matsui, Hiroyuki, Melkumov, John W, Mladineo, Bruno, Mohamed, Sharmarke, Momenzadeh Abardeh, Zahrasadat, Muddana, Hari S, Nakayama, Naofumi, Nayal, Kamal Singh, Neumann, Marcus A, Obata, Shigeaki, O'Connor, Dana, Oganov, Artem R, Okuwaki, Koji, Otero-de-la-Roza, Alberto, Parkin, Sean, Parunov, Antonio, Podeszwa, Rafał, Price, Louise S, Price, Sarah L, Probert, Michael R, Rehman, Atta Ur, Reutzel-Edens, Susan M, Rogal, Jutta, Saeed, Zeinab M, Salimi, Alireza, Sasikumar, Kiran, Sekharan, Sivakumar, Shankland, Kenneth, Shi, Baimei, Shi, Xuekun, Shinohara, Kotaro, van de Streek, Jacco, Sugden, Isaac J, Sun, Guangxu, Szalewicz, Krzysztof, Tang, Kehan, Tarczynski, Frank, Tkatchenko, Alexandre, Touš, Petr, Tuckerman, Mark E, Unzueta, Pablo A, Utsumi, Yohei, Vogt-Maranto, Leslie, Weatherston, Jake, Wilkinson, Luke J, Willacy, Robert D, Wojtas, Lukasz, Yang, Yi, Yang, Zhuocen, Yonemochi, Etsuo, Zhou, Yunfei, Cole, Jason C

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Adaptive hybrid density functionals von Khan, Danish, Price, Alastair James Arthur, Ach, Maximilian L, O Anatole von Lilienfeld

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Seventh CCDC Blind Test: Calculated Crystal Structures von Johnson, Erin R., Otero-de-la-Roza, Alberto, Clarke, Sarah M., Rumson, Adrian F., Mayo, R. Alex, Price, Alastair J. A.

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Seventh CCDC Blind Test: Calculated Crystal Structures von Johnson, Erin R., Otero-de-la-Roza, Alberto, Clarke, Sarah M., Rumson, Adrian F., Mayo, R. Alex, Price, Alastair J. A.

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Seventh CCDC Blind Test: Calculated Crystal Structures von Johnson, Erin R., Otero-de-la-Roza, Alberto, Clarke, Sarah M., Rumson, Adrian F., Mayo, R. Alex, Price, Alastair J. A.

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Seventh CCDC Blind Test: Calculated Crystal Structures von Johnson, Erin R., Otero-de-la-Roza, Alberto, Clarke, Sarah M., Rumson, Adrian F., Mayo, R. Alex, Price, Alastair J. A.

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