Crystal structure prediction of small organic molecules: a second blind test by Motherwell, W. D. Sam, Ammon, Herman L., Dunitz, Jack D., Dzyabchenko, Alexander, Erk, Peter, Gavezzotti, Angelo, Hofmann, Detlef W. M., Leusen, Frank J. J., Lommerse, Jos P. M., Mooij, Wijnand T. M., Price, Sarah L., Scheraga, Harold, Schweizer, Bernd, Schmidt, Martin U., Van Eijck, Bouke P., Verwer, Paul, Williams, Donald E.

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Significant progress in predicting the crystal structures of small organic molecules - a report on the fourth blind test by Day, Graeme M., Cooper, Timothy G., Cruz-Cabeza, Aurora J., Hejczyk, Katarzyna E., Ammon, Herman L., Boerrigter, Stephan X. M., Tan, Jeffrey S., Della Valle, Raffaele G., Venuti, Elisabetta, Jose, Jovan, Gadre, Shridhar R., Desiraju, Gautam R., Thakur, Tejender S., Van Eijck, Bouke P., Facelli, Julio C., Bazterra, Victor E., Ferraro, Marta B., Hofmann, Detlef W. M., Neumann, Marcus A., Leusen, Frank J. J., Kendrick, John, Price, Sarah L., Misquitta, Alston J., Karamertzanis, Panagiotis G., Welch, Gareth W. A., Scheraga, Harold A., Arnautova, Yelena A., Schmidt, Martin U., Van De Streek, Jacco, Wolf, Alexandra K., Schweizer, Bernd

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Transferable ab Initio Intermolecular Potentials. 2. Validation and Application to Crystal Structure Prediction by Mooij, Wijnand T. M, van Eijck, Bouke P, Kroon, Jan

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Upack program package for crystal structure prediction: Force fields and crystal structure generation for small carbohydrate molecules by van Eijck, Bouke P., Kroon, Jan

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Ab Initio Crystal Structure Predictions for Flexible Hydrogen-Bonded Molecules by Mooij, Wijnand T. M, van Eijck, Bouke P, Kroon, Jan

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A test of crystal structure prediction of small organic molecules by Lommerse, Jos P. M., Motherwell, W. D. Sam, Ammon, Herman L., Dunitz, Jack D., Gavezzotti, Angelo, Hofmann, Detlef W. M., Leusen, Frank J. J., Mooij, Wijnand T. M., Price, Sarah L., Schweizer, Bernd, Schmidt, Martin U., Van Eijck, Bouke P., Verwer, Paul, Williams, Donald E.

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Ab initio crystal structure predictions for flexible hydrogen-bonded molecules. Part III. Effect of lattice vibrations by van Eijck, Bouke P.

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Transferable ab Initio Intermolecular Potentials. 1. Derivation from Methanol Dimer and Trimer Calculations by van Duijneveldt, Frans B, van Duijneveldt-van de Rijdt, Jeanne G. C. M, van Eijck, Bouke P

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Comparing hypothetical structures generated in the third Cambridge blind test of crystal structure prediction by Van Eijck, Bouke P.

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Crystal structure predictions using five space groups with two independent molecules. The case of small organic acids by Van Eijck, Bouke P.

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Report on the sixth blind test of organic crystal structure prediction methods by Reilly, Anthony M., Cooper, Richard I., Adjiman, Claire S., Bhattacharya, Saswata, Boese, A. Daniel, Brandenburg, Jan Gerit, Bygrave, Peter J., Bylsma, Rita, Campbell, Josh E., Car, Roberto, Case, David H., Chadha, Renu, Cole, Jason C., Cosburn, Katherine, Cuppen, Herma M., Curtis, Farren, Day, Graeme M., DiStasio Jr, Robert A., Dzyabchenko, Alexander, van Eijck, Bouke P., Elking, Dennis M., van den Ende, Joost A., Facelli, Julio C., Ferraro, Marta B., Fusti-Molnar, Laszlo, Gatsiou, Christina-Anna, Gee, Thomas S., de Gelder, René, Ghiringhelli, Luca M., Goto, Hitoshi, Grimme, Stefan, Guo, Rui, Hofmann, Detlef W. M., Hoja, Johannes, Hylton, Rebecca K., Iuzzolino, Luca, Jankiewicz, Wojciech, de Jong, Daniël T., Kendrick, John, de Klerk, Niek J. J., Ko, Hsin-Yu, Kuleshova, Liudmila N., Li, Xiayue, Lohani, Sanjaya, Leusen, Frank J. J., Lund, Albert M., Lv, Jian, Ma, Yanming, Marom, Noa, Masunov, Artëm E., McCabe, Patrick, McMahon, David P., Meekes, Hugo, Metz, Michael P., Misquitta, Alston J., Mohamed, Sharmarke, Monserrat, Bartomeu, Needs, Richard J., Neumann, Marcus A., Nyman, Jonas, Obata, Shigeaki, Oberhofer, Harald, Oganov, Artem R., Orendt, Anita M., Pagola, Gabriel I., Pantelides, Constantinos C., Pickard, Chris J., Podeszwa, Rafal, Price, Louise S., Price, Sarah L., Pulido, Angeles, Read, Murray G., Reuter, Karsten, Schneider, Elia, Schober, Christoph, Shields, Gregory P., Singh, Pawanpreet, Sugden, Isaac J., Szalewicz, Krzysztof, Taylor, Christopher R., Tkatchenko, Alexandre, Tuckerman, Mark E., Vacarro, Francesca, Vasileiadis, Manolis, Vazquez-Mayagoitia, Alvaro, Vogt, Leslie, Wang, Yanchao, Watson, Rona E., de Wijs, Gilles A., Yang, Jack, Zhu, Qiang, Groom, Colin R.

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Crystal structure predictions for disordered halobenzenes by van Eijck, Bouke P.

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Towards crystal structure prediction of complex organic compounds - a report on the fifth blind test by Bardwell, David A., Adjiman, Claire S., Arnautova, Yelena A., Bartashevich, Ekaterina, Boerrigter, Stephan X. M., Braun, Doris E., Cruz-Cabeza, Aurora J., Day, Graeme M., Della Valle, Raffaele G., Desiraju, Gautam R., van Eijck, Bouke P., Facelli, Julio C., Ferraro, Marta B., Grillo, Damian, Habgood, Matthew, Hofmann, Detlef W. M., Hofmann, Fridolin, Jose, K. V. Jovan, Karamertzanis, Panagiotis G., Kazantsev, Andrei V., Kendrick, John, Kuleshova, Liudmila N., Leusen, Frank J. J., Maleev, Andrey V., Misquitta, Alston J., Mohamed, Sharmarke, Needs, Richard J., Neumann, Marcus A., Nikylov, Denis, Orendt, Anita M., Pal, Rumpa, Pantelides, Constantinos C., Pickard, Chris J., Price, Louise S., Price, Sarah L., Scheraga, Harold A., van de Streek, Jacco, Thakur, Tejender S., Tiwari, Siddharth, Venuti, Elisabetta, Zhitkov, Ilia K.

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Coulomb Energy of Polar Crystals by van Eijck, Bouke P, Kroon, Jan

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Crystal Structure Prediction for Six Monosaccharides Revisited by van Eijck, Bouke P, Mooij, Wijnand T. M, Kroon, Jan

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An adaptive umbrella sampling procedure in conformational analysis using molecular dynamics and its application to glycol by HOOFT, R. W. W, VAN EIJCK, B. P, KROON, J

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Comment on “Crystal Structure Prediction by Global Optimization as a Tool for Evaluating Potentials:  Role of the Dipole Moment Correction Term in Successful Predictions” by van Eijck, Bouke P, Kroon, Jan

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The seventh blind test of crystal structure prediction: structure generation methods by Hunnisett, Lily M., Nyman, Jonas, Francia, Nicholas, Abraham, Nathan S., Adjiman, Claire S., Aitipamula, Srinivasulu, Alkhidir, Tamador, Almehairbi, Mubarak, Anelli, Andrea, Anstine, Dylan M., Arnold, Joseph E., Bahrami, Faezeh, Bier, Imanuel, Boese, A. Daniel, Bowskill, David H., Brandenburg, Jan Gerit, Braun, Doris E., Butler, Patrick W. V., Cadden, Joseph, Carino, Stephen, Chan, Eric J., Cheng, Bingqing, Clarke, Sarah M., Coles, Simon J., Day, Graeme M., Dietrich, Hanno, Ding, Yiming, DiPasquale, Antonio, Dhokale, Bhausaheb, van Eijck, Bouke P., Elsegood, Mark R. J., Firaha, Dzmitry, Fu, Wenbo, Fukuzawa, Kaori, Goto, Hitoshi, Guo, Rui, Harter, Jürgen, Hutchison, Geoffrey, Ikabata, Yasuhiro, Isayev, Olexandr, Ishaque, Ommair, Jain, Varsha, Jing, Aling, Kabova, Elena A., Kuleshova, Liudmila N., Li, He, Lin, Xiaolu, List, Alexander, Liu, Zenghui, Liu, Zhi-Pan, Maryewski, Alexander A., Matsui, Hiroyuki, Melkumov, John W., Mohamed, Sharmarke, Momenzadeh Abardeh, Zahrasadat, Muddana, Hari S., Nakayama, Naofumi, Nayal, Kamal Singh, Neumann, Marcus A., Nikhar, Rahul, Obata, Shigeaki, O'Connor, Dana, Oganov, Artem R., Otero-de-la-Roza, Alberto, Parkin, Sean, Pickard, Chris J., Pilia, Luca, Price, Alastair J. A., Price, Louise S., Probert, Michael R., Ramteke, Gunjan Rajendra, Rehman, Atta Ur, Reutzel-Edens, Susan M., Rogal, Jutta, Ross, Marta J., Sadiq, Ghazala, Salimi, Alireza, Sasikumar, Kiran, Shankland, Kenneth, Shi, Baimei, Skillman, A. Geoffrey, van de Streek, Jacco, Sun, Guangxu, Tan, Benjamin I., Tan, Lu, Tarczynski, Frank, Tom, Rithwik, Tuckerman, Mark E., Vogt-Maranto, Leslie, Weatherston, Jake, Wilkinson, Luke J., Willacy, Robert D., Wojtas, Lukasz, Woollam, Grahame R., Yonemochi, Etsuo, Zhang, Yizu, Zhou, Tian, Zhou, Yunfei, Zubatyuk, Roman, Cole, Jason C.

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The seventh blind test of crystal structure prediction: structure ranking methods by Hunnisett, Lily M., Nyman, Jonas, Abraham, Nathan S., Aitipamula, Srinivasulu, Alkhidir, Tamador, Almehairbi, Mubarak, Anelli, Andrea, Anstine, Dylan M., Arnold, Joseph E., Bahrami, Faezeh, Bellucci, Michael A., Beran, Gregory J. O., Boese, A. Daniel, Butler, Patrick W. V., Cadden, Joseph, Carino, Stephen, Chang, Chao, Coles, Simon J., Cook, Cameron J., Cooper, Richard I., DiPasquale, Antonio, Dhokale, Bhausaheb, van Eijck, Bouke P., Elsegood, Mark R. J., Firaha, Dzmitry, Fu, Wenbo, Galanakis, Nikolaos, Goto, Hitoshi, Greenwell, Chandler, Guo, Rui, Harter, Jürgen, Hone, John, Hong, Richard, Hušák, Michal, Ikabata, Yasuhiro, Isayev, Olexandr, Ishaque, Ommair, Jain, Varsha, Jin, Yingdi, Jing, Aling, Johnson, Erin R., Keates, Adam, Kelly, Paul F., Klimeš, Jiří, Li, He, List, Alexander, Liu, Congcong, Liu, Yifei Michelle, Liu, Zenghui, Lubach, Joseph W., Marom, Noa, Matsui, Hiroyuki, Mattei, Alessandra, Melkumov, John W., Mladineo, Bruno, 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, Price, Alastair J. A., Price, Sarah L., Probert, Michael R., Pulido, Angeles, Rehman, Atta Ur, Reutzel-Edens, Susan M., Rogal, Jutta, Ross, Marta J., Rumson, Adrian F., Sasikumar, Kiran, Sekharan, Sivakumar, Shankland, Kenneth, Shi, Xuekun, Shinohara, Kotaro, Skillman, A. Geoffrey, Strasser, Nina, van de Streek, Jacco, Sugden, Isaac J., Sun, Guangxu, Szalewicz, Krzysztof, Tan, Lu, Tang, Kehan, Tarczynski, Frank, Taylor, Christopher R., Tkatchenko, Alexandre, Tom, Rithwik, Touš, Petr, Unzueta, Pablo A., Utsumi, Yohei, Weatherston, Jake, Wilkinson, Luke J., Wojtas, Lukasz, Woollam, Grahame R., Yonemochi, Etsuo, Zeng, Qun, Cole, Jason C.

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Structure predictions allowing more than one molecule in the asymmetric unit by Van Eijck, Bouke P., Kroon, Jan

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