Equivariant Graph Network Approximations of High-Degree Polynomials for Force Field Prediction

Autor: Xu, Zhao, Yu, Haiyang, Bohde, Montgomery, Ji, Shuiwang

Publikováno v: Transactions on Machine Learning Research, 2024. Featured Certification

Recent advancements in equivariant deep models have shown promise in accurately predicting atomic potentials and force fields in molecular dynamics simulations. Using spherical harmonics (SH) and tensor products (TP), these equivariant networks gain

Externí odkaz: http://arxiv.org/abs/2411.04219

Maximally entangled gluons for any $x$

Autor: Hatta, Yoshitaka, Montgomery, Jake

Individual quarks and gluons at small-$x$ inside an unpolarized hadron can be regarded as Bell states in which qubits in the spin and orbital angular momentum spaces are maximally entangled. Using the machinery of quantum information science, we gene

Externí odkaz: http://arxiv.org/abs/2410.16082

First Very Long Baseline Interferometry Detections at 870{\mu}m

Autor: Raymond, Alexander W., Doeleman, Sheperd S., Asada, Keiichi, Blackburn, Lindy, Bower, Geoffrey C., Bremer, Michael, Broguiere, Dominique, Chen, Ming-Tang, Crew, Geoffrey B., Dornbusch, Sven, Fish, Vincent L., García, Roberto, Gentaz, Olivier, Goddi, Ciriaco, Han, Chih-Chiang, Hecht, Michael H., Huang, Yau-De, Janssen, Michael, Keating, Garrett K., Koay, Jun Yi, Krichbaum, Thomas P., Lo, Wen-Ping, Matsushita, Satoki, Matthews, Lynn D., Moran, James M., Norton, Timothy J., Patel, Nimesh, Pesce, Dominic W., Ramakrishnan, Venkatessh, Rottmann, Helge, Roy, Alan L., Sánchez, Salvador, Tilanus, Remo P. J., Titus, Michael, Torne, Pablo, Wagner, Jan, Weintroub, Jonathan, Wielgus, Maciek, Young, André, Akiyama, Kazunori, Albentosa-Ruíz, Ezequiel, Alberdi, Antxon, Alef, Walter, Algaba, Juan Carlos, Anantua, Richard, Azulay, Rebecca, Bach, Uwe, Baczko, Anne-Kathrin, Ball, David, Baloković, Mislav, Bandyopadhyay, Bidisha, Barrett, John, Bauböck, Michi, Benson, Bradford A., Bintley, Dan, Blundell, Raymond, Bouman, Katherine L., Boyce, Hope, Brissenden, Roger, Britzen, Silke, Broderick, Avery E., Bronzwaer, Thomas, Bustamante, Sandra, Carlstrom, John E., Chael, Andrew, Chan, Chi-kwan, Chang, Dominic O., Chatterjee, Koushik, Chatterjee, Shami, Chen, Yongjun, Cheng, Xiaopeng, Cho, Ilje, Christian, Pierre, Conroy, Nicholas S., Conway, John E., Crawford, Thomas M., Cruz-Osorio, Alejandro, Cui, Yuzhu, Dahale, Rohan, Davelaar, Jordy, De Laurentis, Mariafelicia, Deane, Roger, Dempsey, Jessica, Desvignes, Gregory, Dexter, Jason, Dhruv, Vedant, Dihingia, Indu K., Dzib, Sergio A., Eatough, Ralph P., Emami, Razieh, Falcke, Heino, Farah, Joseph, Fomalont, Edward, Fontana, Anne-Laure, Ford, H. Alyson, Foschi, Marianna, Fraga-Encinas, Raquel, Freeman, William T., Friberg, Per, Fromm, Christian M., Fuentes, Antonio, Galison, Peter, Gammie, Charles F., Georgiev, Boris, Gold, Roman, Gómez-Ruiz, Arturo I., Gómez, José L., Gu, Minfeng, Gurwell, Mark, Hada, Kazuhiro, Haggard, Daryl, Hesper, Ronald, Heumann, Dirk, Ho, Luis C., Ho, Paul, Honma, Mareki, Huang, Chih-Wei L., Huang, Lei, Hughes, David H., Ikeda, Shiro, Impellizzeri, C. M. Violette, Inoue, Makoto, Issaoun, Sara, James, David J., Jannuzi, Buell T., Jeter, Britton, Jiang, Wu, Jiménez-Rosales, Alejandra, Johnson, Michael D., Jorstad, Svetlana, Jones, Adam C., Joshi, Abhishek V., Jung, Taehyun, Karuppusamy, Ramesh, Kawashima, Tomohisa, Kettenis, Mark, Kim, Dong-Jin, Kim, Jae-Young, Kim, Jongsoo, Kim, Junhan, Kino, Motoki, Kocherlakota, Prashant, Kofuji, Yutaro, Koch, Patrick M., Koyama, Shoko, Kramer, Carsten, Kramer, Joana A., Kramer, Michael, Kubo, Derek, Kuo, Cheng-Yu, La Bella, Noemi, Lee, Sang-Sung, Levis, Aviad, Li, Zhiyuan, Lico, Rocco, Lindahl, Greg, Lindqvist, Michael, Lisakov, Mikhail, Liu, Jun, Liu, Kuo, Liuzzo, Elisabetta, Lobanov, Andrei P., Loinard, Laurent, Lonsdale, Colin J., Lowitz, Amy E., Lu, Ru-Sen, MacDonald, Nicholas R., Mahieu, Sylvain, Maier, Doris, Mao, Jirong, Marchili, Nicola, Markoff, Sera, Marrone, Daniel P., Marscher, Alan P., Martí-Vidal, Iván, Medeiros, Lia, Menten, Karl M., Mizuno, Izumi, Mizuno, Yosuke, Montgomery, Joshua, Moriyama, Kotaro, Moscibrodzka, Monika, Mulaudzi, Wanga, Müller, Cornelia, Müller, Hendrik, Mus, Alejandro, Musoke, Gibwa, Myserlis, Ioannis, Nagai, Hiroshi, Nagar, Neil M., Nakamura, Masanori, Narayanan, Gopal, Natarajan, Iniyan, Nathanail, Antonios, Fuentes, Santiago Navarro, Neilsen, Joey, Ni, Chunchong, Nowak, Michael A., Oh, Junghwan, Okino, Hiroki, Sánchez, Héctor Raúl Olivares, Oyama, Tomoaki, Özel, Feryal, Palumbo, Daniel C. M., Paraschos, Georgios Filippos, Park, Jongho, Parsons, Harriet, Pen, Ue-Li, Piétu, Vincent, PopStefanija, Aleksandar, Porth, Oliver, Prather, Ben, Principe, Giacomo, Psaltis, Dimitrios, Pu, Hung-Yi, Raffin, Philippe A., Rao, Ramprasad, Rawlings, Mark G., Ricarte, Angelo, Ripperda, Bart, Roelofs, Freek, Romero-Cañizales, Cristina, Ros, Eduardo, Roshanineshat, Arash, Ruiz, Ignacio, Ruszczyk, Chet, Rygl, Kazi L. J., Sánchez-Argüelles, David, Sánchez-Portal, Miguel, Sasada, Mahito, Satapathy, Kaushik, Savolainen, Tuomas, Schloerb, F. Peter, Schonfeld, Jonathan, Schuster, Karl-Friedrich, Shao, Lijing, Shen, Zhiqiang, Small, Des, Sohn, Bong Won, SooHoo, Jason, Salas, León David Sosapanta, Souccar, Kamal, Srinivasan, Ranjani, Stanway, Joshua S., Sun, He, Tazaki, Fumie, Tetarenko, Alexandra J., Tiede, Paul, Toma, Kenji, Toscano, Teresa, Traianou, Efthalia, Trent, Tyler, Trippe, Sascha, Turk, Matthew, van Bemmel, Ilse, van Langevelde, Huib Jan, van Rossum, Daniel R., Vos, Jesse, Ward-Thompson, Derek, Wardle, John, Washington, Jasmin E., Wharton, Robert, Wiik, Kaj, Witzel, Gunther, Wondrak, Michael F., Wong, George N., Wu, Qingwen, Yadlapalli, Nitika, Yamaguchi, Paul, Yfantis, Aristomenis, Yoon, Doosoo, Younsi, Ziri, Yu, Wei, Yuan, Feng, Yuan, Ye-Fei, Zensus, J. Anton, Zhang, Shuo, Zhao, Guang-Yao, Zhao, Shan-Shan

Publikováno v: The Astronomical Journal, Volume 168, Issue 3, id.130, 19 pp. 2024

The first very long baseline interferometry (VLBI) detections at 870$\mu$m wavelength (345$\,$GHz frequency) are reported, achieving the highest diffraction-limited angular resolution yet obtained from the surface of the Earth, and the highest-freque

Externí odkaz: http://arxiv.org/abs/2410.07453

The Llama 3 Herd of Models

Autor: Dubey, Abhimanyu, Jauhri, Abhinav, Pandey, Abhinav, Kadian, Abhishek, Al-Dahle, Ahmad, Letman, Aiesha, Mathur, Akhil, Schelten, Alan, Yang, Amy, Fan, Angela, Goyal, Anirudh, Hartshorn, Anthony, Yang, Aobo, Mitra, Archi, Sravankumar, Archie, Korenev, Artem, Hinsvark, Arthur, Rao, Arun, Zhang, Aston, Rodriguez, Aurelien, Gregerson, Austen, Spataru, Ava, Roziere, Baptiste, Biron, Bethany, Tang, Binh, Chern, Bobbie, Caucheteux, Charlotte, Nayak, Chaya, Bi, Chloe, Marra, Chris, McConnell, Chris, Keller, Christian, Touret, Christophe, Wu, Chunyang, Wong, Corinne, Ferrer, Cristian Canton, Nikolaidis, Cyrus, Allonsius, Damien, Song, Daniel, Pintz, Danielle, Livshits, Danny, Esiobu, David, Choudhary, Dhruv, Mahajan, Dhruv, Garcia-Olano, Diego, Perino, Diego, Hupkes, Dieuwke, Lakomkin, Egor, AlBadawy, Ehab, Lobanova, Elina, Dinan, Emily, Smith, Eric Michael, Radenovic, Filip, Zhang, Frank, Synnaeve, Gabriel, Lee, Gabrielle, Anderson, Georgia Lewis, Nail, Graeme, Mialon, Gregoire, Pang, Guan, Cucurell, Guillem, Nguyen, Hailey, Korevaar, Hannah, Xu, Hu, Touvron, Hugo, Zarov, Iliyan, Ibarra, Imanol Arrieta, Kloumann, Isabel, Misra, Ishan, Evtimov, Ivan, Copet, Jade, Lee, Jaewon, Geffert, Jan, Vranes, Jana, Park, Jason, Mahadeokar, Jay, Shah, Jeet, van der Linde, Jelmer, Billock, Jennifer, Hong, Jenny, Lee, Jenya, Fu, Jeremy, Chi, Jianfeng, Huang, Jianyu, Liu, Jiawen, Wang, Jie, Yu, Jiecao, Bitton, Joanna, Spisak, Joe, Park, Jongsoo, Rocca, Joseph, Johnstun, Joshua, Saxe, Joshua, Jia, Junteng, Alwala, Kalyan Vasuden, Upasani, Kartikeya, Plawiak, Kate, Li, Ke, Heafield, Kenneth, Stone, Kevin, El-Arini, Khalid, Iyer, Krithika, Malik, Kshitiz, Chiu, Kuenley, Bhalla, Kunal, Rantala-Yeary, Lauren, van der Maaten, Laurens, Chen, Lawrence, Tan, Liang, Jenkins, Liz, Martin, Louis, Madaan, Lovish, Malo, Lubo, Blecher, Lukas, Landzaat, Lukas, de Oliveira, Luke, Muzzi, Madeline, Pasupuleti, Mahesh, Singh, Mannat, Paluri, Manohar, Kardas, Marcin, Oldham, Mathew, Rita, Mathieu, Pavlova, Maya, Kambadur, Melanie, Lewis, Mike, Si, Min, Singh, Mitesh Kumar, Hassan, Mona, Goyal, Naman, Torabi, Narjes, Bashlykov, Nikolay, Bogoychev, Nikolay, Chatterji, Niladri, Duchenne, Olivier, Çelebi, Onur, Alrassy, Patrick, Zhang, Pengchuan, Li, Pengwei, Vasic, Petar, Weng, Peter, Bhargava, Prajjwal, Dubal, Pratik, Krishnan, Praveen, Koura, Punit Singh, Xu, Puxin, He, Qing, Dong, Qingxiao, Srinivasan, Ragavan, Ganapathy, Raj, Calderer, Ramon, Cabral, Ricardo Silveira, Stojnic, Robert, Raileanu, Roberta, Girdhar, Rohit, Patel, Rohit, Sauvestre, Romain, Polidoro, Ronnie, Sumbaly, Roshan, Taylor, Ross, Silva, Ruan, Hou, Rui, Wang, Rui, Hosseini, Saghar, Chennabasappa, Sahana, Singh, Sanjay, Bell, Sean, Kim, Seohyun Sonia, Edunov, Sergey, Nie, Shaoliang, Narang, Sharan, Raparthy, Sharath, Shen, Sheng, Wan, Shengye, Bhosale, Shruti, Zhang, Shun, Vandenhende, Simon, Batra, Soumya, Whitman, Spencer, Sootla, Sten, Collot, Stephane, Gururangan, Suchin, Borodinsky, Sydney, Herman, Tamar, Fowler, Tara, Sheasha, Tarek, Georgiou, Thomas, Scialom, Thomas, Speckbacher, Tobias, Mihaylov, Todor, Xiao, Tong, Karn, Ujjwal, Goswami, Vedanuj, Gupta, Vibhor, Ramanathan, Vignesh, Kerkez, Viktor, Gonguet, Vincent, Do, Virginie, Vogeti, Vish, Petrovic, Vladan, Chu, Weiwei, Xiong, Wenhan, Fu, Wenyin, Meers, Whitney, Martinet, Xavier, Wang, Xiaodong, Tan, Xiaoqing Ellen, Xie, Xinfeng, Jia, Xuchao, Wang, Xuewei, Goldschlag, Yaelle, Gaur, Yashesh, Babaei, Yasmine, Wen, Yi, Song, Yiwen, Zhang, Yuchen, Li, Yue, Mao, Yuning, Coudert, Zacharie Delpierre, Yan, Zheng, Chen, Zhengxing, Papakipos, Zoe, Singh, Aaditya, Grattafiori, Aaron, Jain, Abha, Kelsey, Adam, Shajnfeld, Adam, Gangidi, Adithya, Victoria, Adolfo, Goldstand, Ahuva, Menon, Ajay, Sharma, Ajay, Boesenberg, Alex, Vaughan, Alex, Baevski, Alexei, Feinstein, Allie, Kallet, Amanda, Sangani, Amit, Yunus, Anam, Lupu, Andrei, Alvarado, Andres, Caples, Andrew, Gu, Andrew, Ho, Andrew, Poulton, Andrew, Ryan, Andrew, Ramchandani, Ankit, Franco, Annie, Saraf, Aparajita, Chowdhury, Arkabandhu, Gabriel, Ashley, Bharambe, Ashwin, Eisenman, Assaf, Yazdan, Azadeh, James, Beau, Maurer, Ben, Leonhardi, Benjamin, Huang, Bernie, Loyd, Beth, De Paola, Beto, Paranjape, Bhargavi, Liu, Bing, Wu, Bo, Ni, Boyu, Hancock, Braden, Wasti, Bram, Spence, Brandon, Stojkovic, Brani, Gamido, Brian, Montalvo, Britt, Parker, Carl, Burton, Carly, Mejia, Catalina, Wang, Changhan, Kim, Changkyu, Zhou, Chao, Hu, Chester, Chu, Ching-Hsiang, Cai, Chris, Tindal, Chris, Feichtenhofer, Christoph, Civin, Damon, Beaty, Dana, Kreymer, Daniel, Li, Daniel, Wyatt, Danny, Adkins, David, Xu, David, Testuggine, Davide, David, Delia, Parikh, Devi, Liskovich, Diana, Foss, Didem, Wang, Dingkang, Le, Duc, Holland, Dustin, Dowling, Edward, Jamil, Eissa, Montgomery, Elaine, Presani, Eleonora, Hahn, Emily, Wood, Emily, Brinkman, Erik, Arcaute, Esteban, Dunbar, Evan, Smothers, Evan, Sun, Fei, Kreuk, Felix, Tian, Feng, Ozgenel, Firat, Caggioni, Francesco, Guzmán, Francisco, Kanayet, Frank, Seide, Frank, Florez, Gabriela Medina, Schwarz, Gabriella, Badeer, Gada, Swee, Georgia, Halpern, Gil, Thattai, Govind, Herman, Grant, Sizov, Grigory, Guangyi, Zhang, Lakshminarayanan, Guna, Shojanazeri, Hamid, Zou, Han, Wang, Hannah, Zha, Hanwen, Habeeb, Haroun, Rudolph, Harrison, Suk, Helen, Aspegren, Henry, Goldman, Hunter, Damlaj, Ibrahim, Molybog, Igor, Tufanov, Igor, Veliche, Irina-Elena, Gat, Itai, Weissman, Jake, Geboski, James, Kohli, James, Asher, Japhet, Gaya, Jean-Baptiste, Marcus, Jeff, Tang, Jeff, Chan, Jennifer, Zhen, Jenny, Reizenstein, Jeremy, Teboul, Jeremy, Zhong, Jessica, Jin, Jian, Yang, Jingyi, Cummings, Joe, Carvill, Jon, Shepard, Jon, McPhie, Jonathan, Torres, Jonathan, Ginsburg, Josh, Wang, Junjie, Wu, Kai, U, Kam Hou, Saxena, Karan, Prasad, Karthik, Khandelwal, Kartikay, Zand, Katayoun, Matosich, Kathy, Veeraraghavan, Kaushik, Michelena, Kelly, Li, Keqian, Huang, Kun, Chawla, Kunal, Lakhotia, Kushal, Huang, Kyle, Chen, Lailin, Garg, Lakshya, A, Lavender, Silva, Leandro, Bell, Lee, Zhang, Lei, Guo, Liangpeng, Yu, Licheng, Moshkovich, Liron, Wehrstedt, Luca, Khabsa, Madian, Avalani, Manav, Bhatt, Manish, Tsimpoukelli, Maria, Mankus, Martynas, Hasson, Matan, Lennie, Matthew, Reso, Matthias, Groshev, Maxim, Naumov, Maxim, Lathi, Maya, Keneally, Meghan, Seltzer, Michael L., Valko, Michal, Restrepo, Michelle, Patel, Mihir, Vyatskov, Mik, Samvelyan, Mikayel, Clark, Mike, Macey, Mike, Wang, Mike, Hermoso, Miquel Jubert, Metanat, Mo, Rastegari, Mohammad, Bansal, Munish, Santhanam, Nandhini, Parks, Natascha, White, Natasha, Bawa, Navyata, Singhal, Nayan, Egebo, Nick, Usunier, Nicolas, Laptev, Nikolay Pavlovich, Dong, Ning, Zhang, Ning, Cheng, Norman, Chernoguz, Oleg, Hart, Olivia, Salpekar, Omkar, Kalinli, Ozlem, Kent, Parkin, Parekh, Parth, Saab, Paul, Balaji, Pavan, Rittner, Pedro, Bontrager, Philip, Roux, Pierre, Dollar, Piotr, Zvyagina, Polina, Ratanchandani, Prashant, Yuvraj, Pritish, Liang, Qian, Alao, Rachad, Rodriguez, Rachel, Ayub, Rafi, Murthy, Raghotham, Nayani, Raghu, Mitra, Rahul, Li, Raymond, Hogan, Rebekkah, Battey, Robin, Wang, Rocky, Maheswari, Rohan, Howes, Russ, Rinott, Ruty, Bondu, Sai Jayesh, Datta, Samyak, Chugh, Sara, Hunt, Sara, Dhillon, Sargun, Sidorov, Sasha, Pan, Satadru, Verma, Saurabh, Yamamoto, Seiji, Ramaswamy, Sharadh, Lindsay, Shaun, Feng, Sheng, Lin, Shenghao, Zha, Shengxin Cindy, Shankar, Shiva, Zhang, Shuqiang, Wang, Sinong, Agarwal, Sneha, Sajuyigbe, Soji, Chintala, Soumith, Max, Stephanie, Chen, Stephen, Kehoe, Steve, Satterfield, Steve, Govindaprasad, Sudarshan, Gupta, Sumit, Cho, Sungmin, Virk, Sunny, Subramanian, Suraj, Choudhury, Sy, Goldman, Sydney, Remez, Tal, Glaser, Tamar, Best, Tamara, Kohler, Thilo, Robinson, Thomas, Li, Tianhe, Zhang, Tianjun, Matthews, Tim, Chou, Timothy, Shaked, Tzook, Vontimitta, Varun, Ajayi, Victoria, Montanez, Victoria, Mohan, Vijai, Kumar, Vinay Satish, Mangla, Vishal, Albiero, Vítor, Ionescu, Vlad, Poenaru, Vlad, Mihailescu, Vlad Tiberiu, Ivanov, Vladimir, Li, Wei, Wang, Wenchen, Jiang, Wenwen, Bouaziz, Wes, Constable, Will, Tang, Xiaocheng, Wang, Xiaofang, Wu, Xiaojian, Wang, Xiaolan, Xia, Xide, Wu, Xilun, Gao, Xinbo, Chen, Yanjun, Hu, Ye, Jia, Ye, Qi, Ye, Li, Yenda, Zhang, Yilin, Zhang, Ying, Adi, Yossi, Nam, Youngjin, Yu, Wang, Hao, Yuchen, Qian, Yundi, He, Yuzi, Rait, Zach, DeVito, Zachary, Rosnbrick, Zef, Wen, Zhaoduo, Yang, Zhenyu, Zhao, Zhiwei

Modern artificial intelligence (AI) systems are powered by foundation models. This paper presents a new set of foundation models, called Llama 3. It is a herd of language models that natively support multilinguality, coding, reasoning, and tool usage

Externí odkaz: http://arxiv.org/abs/2407.21783

The need to implement FAIR principles in biomolecular simulations

Autor: Amaro, Rommie, Åqvist, Johan, Bahar, Ivet, Battistini, Federica, Bellaiche, Adam, Beltran, Daniel, Biggin, Philip C., Bonomi, Massimiliano, Bowman, Gregory R., Bryce, Richard, Bussi, Giovanni, Carloni, Paolo, Case, David, Cavalli, Andrea, Chang, Chie-En A., Cheatham III, Thomas E., Cheung, Margaret S., Chipot, Cris, Chong, Lillian T., Choudhary, Preeti, Cisneros, Gerardo Andres, Clementi, Cecilia, Collepardo-Guevara, Rosana, Coveney, Peter, Covino, Roberto, Crawford, T. Daniel, Peraro, Matteo Dal, de Groot, Bert, Delemotte, Lucie, De Vivo, Marco, Essex, Jonathan, Fraternali, Franca, Gao, Jiali, Gelpí, Josep Lluís, Gervasio, Francesco Luigi, Gonzalez-Nilo, Fernando Danilo, Grubmüller, Helmut, Guenza, Marina, Guzman, Horacio V., Harris, Sarah, Head-Gordon, Teresa, Hernandez, Rigoberto, Hospital, Adam, Huang, Niu, Huang, Xuhui, Hummer, Gerhard, Iglesias-Fernández, Javier, Jensen, Jan H., Jha, Shantenu, Jiao, Wanting, Jorgensen, William L., Kamerlin, Shina Caroline Lynn, Khalid, Syma, Laughton, Charles, Levitt, Michael, Limongelli, Vittorio, Lindahl, Erik, Lindorff-Larsen, Kresten, Loverde, Sharon, Lundborg, Magnus, Luo, Yun Lyna, Luque, Francisco Javier, Lynch, Charlotte I., MacKerell, Alexander, Magistrato, Alessandra, Marrink, Siewert J., Martin, Hugh, McCammon, J. Andrew, Merz, Kenneth, Moliner, Vicent, Mulholland, Adrian, Murad, Sohail, Naganathan, Athi N., Nangia, Shikha, Noe, Frank, Noy, Agnes, Oláh, Julianna, O'Mara, Megan, Ondrechen, Mary Jo, Onuchic, José N., Onufriev, Alexey, Osuna, Silvia, Panchenko, Anna R., Pantano, Sergio, Parish, Carol, Parrinello, Michele, Perez, Alberto, Perez-Acle, Tomas, Perilla, Juan R., Pettitt, B. Montgomery, Pietropalo, Adriana, Piquemal, Jean-Philip, Poma, Adolfo, Praprotnik, Matej, Ramos, Maria J., Ren, Pengyu, Reuter, Nathalie, Roitberg, Adrian, Rosta, Edina, Rovira, Carme, Roux, Benoit, Röthlisberger, Ursula, Sanbonmatsu, Karissa Y., Schlick, Tamar, Shaytan, Alexey K., Simmerling, Carlos, Smith, Jeremy C., Sugita, Yuji, Świderek, Katarzyna, Taiji, Makoto, Tao, Peng, Tikhonova, Irina G., Tirado-Rives, Julian, Tunón, Inaki, Van Der Kamp, Marc W., Van der Spoel, David, Velankar, Sameer, Voth, Gregory A., Wade, Rebecca, Warshel, Ariel, Welborn, Valerie Vaissier, Wetmore, Stacey, Wong, Chung F., Yang, Lee-Wei, Zacharias, Martin, Orozco, Modesto

This letter illustrates the opinion of the molecular dynamics (MD) community on the need to adopt a new FAIR paradigm for the use of molecular simulations. It highlights the necessity of a collaborative effort to create, establish, and sustain a data

Externí odkaz: http://arxiv.org/abs/2407.16584