Fetching the paper…
Reading the bibliography…
Accurate and fast prediction of materials properties is central to the digital transformation of materials design.
Zeitschrift für physik 52
F. Bloch, Über die quantenmechanik der elektronen in kristallgittern · 1929
Earlier work this paper cites.
Physical Review Letters 1
G. Slack, R. Newman, Thermal conductivity of mno and nio · 1958
Earlier work this paper cites.
Journal of The Electrochemical Society 110
R.J. LaBotz, D.R. Mason, The thermal conductivities of mg2si and mg2ge · 1963
Earlier work this paper cites.
Physical review 136
P. Hohenberg, W. Kohn, Inhomogeneous electron gas · 1964
Earlier work this paper cites.
Physical review 140
W. Kohn, L.J. Sham, Self-consistent equations including exchange and correlation effects · 1965
Earlier work this paper cites.
Journal of physics and chemistry of solids 33
J. Martin, Thermal conductivity of mg2si, mg2ge and mg2sn · 1972
Earlier work this paper cites.
The Journal of Physical Chemistry 77
R. Mills, Self-diffusion in normal and heavy water in the range 1-45. deg · 1973
Earlier work this paper cites.
Faraday Discussions of the Chemical Society 66
K. Krynicki, C.D. Green, D.W. Sawyer, Pressure and temperature dependence of self-diffusion in water · 1978
Earlier work this paper cites.
Materials Research Bulletin 15
K. Mizushima, P. Jones, P. Wiseman, J.B. Goodenough, Lixcoo2 (0¡ x¡-1): A new cathode material for batteries of high energy density · 1980
Earlier work this paper cites.
Journal of Nuclear Materials 91
T. Takahashi, T. Kikuchi, Porosity dependence on thermal diffusivity and thermal conductivity of lithium oxide li2o from 200 to 900° c · 1980
Earlier work this paper cites.
Journal of Applied physics 52
M. Parrinello, A. Rahman, Polymorphic transitions in single crystals: A new molecular dynamics method · 1981
Earlier work this paper cites.
Journal of Physics C: Solid State Physics 15
D. Gerlich, P. Andersson, Temperature and pressure effects on the thermal conductivity and heat capacity of cscl, csbr and csi · 1982
Earlier work this paper cites.
The Journal of chemical physics 81
S. Nosé, A unified formulation of the constant temperature molecular dynamics methods · 1984
Earlier work this paper cites.
Thermal Conductivity 18 pp. 115–124 (1985)
J. Moore, F. Weaver, R. Graves, D. McElroy, The thermal conductivities of srcl 2 and srf 2 from 85 to 400 k · 1985
Earlier work this paper cites.
International Union of Crystallography, Chester 360
G. Bergerhoff, I. Brown, F. Allen, et al., Crystallographic databases · 1987
Earlier work this paper cites.
Physical review letters 58
S. Baroni, P. Giannozzi, A. Testa, Green’s-function approach to linear response in solids · 1987
Earlier work this paper cites.
Physical Review B 44
V.I. Anisimov, J. Zaanen, O.K. Andersen, Band theory and mott insulators: Hubbard u instead of stoner i · 1991
Earlier work this paper cites.
Physical Review B 43
P. Giannozzi, S. De Gironcoli, P. Pavone, S. Baroni, Ab initio calculation of phonon dispersions in semiconductors · 1991
Earlier work this paper cites.
The Journal of chemical physics 99
B. Dünweg, K. Kremer, Molecular dynamics simulation of a polymer chain in solution · 1993
Earlier work this paper cites.
Physical review B 50
P.E. Blöchl, Projector augmented-wave method · 1994
Earlier work this paper cites.
The Journal of chemical physics 101
G.J. Martyna, D.J. Tobias, M.L. Klein, Constant pressure molecular dynamics algorithms · 1994
Earlier work this paper cites.
Europhysics Letters 32
G. Kresse, J. Furthmüller, J. Hafner, Ab initio force constant approach to phonon dispersion relations of diamond and graphite · 1995
Earlier work this paper cites.
Physical Review B 51
D. Morelli, T. Caillat, J.P. Fleurial, A. Borshchevsky, J. Vandersande, B. Chen, C. Uher, Low-temperature transport properties of p-type cosb 3 · 1995
Earlier work this paper cites.
Physical review B 54
G. Kresse, J. Furthmüller, Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set · 1996
Earlier work this paper cites.
Computational materials science 6
G. Kresse, J. Furthmüller, Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set · 1996
Earlier work this paper cites.
Physical review letters 77
J.P. Perdew, K. Burke, M. Ernzerhof, Generalized gradient approximation made simple · 1996
Earlier work this paper cites.
Applied physics letters 71
W. Capinski, H. Maris, E. Bauser, I. Silier, M. Asen-Palmer, T. Ruf, M. Cardona, E. Gmelin, Thermal conductivity of isotopically enriched si · 1997
Earlier work this paper cites.
Nature 392
G. Ceder, Y.M. Chiang, D. Sadoway, M. Aydinol, Y.I. Jang, B. Huang, Identification of cathode materials for lithium batteries guided by first-principles calculations · 1998
Earlier work this paper cites.
Journal of Physics: Condensed Matter 11
H. Hohl, A.P. Ramirez, C. Goldmann, G. Ernst, B. Wölfing, E. Bucher, Efficient dopants for zrnisn-based thermoelectric materials · 1999
Earlier work this paper cites.
Journal of Applied Physics 87
D. Young, P. Khalifah, R.J. Cava, A. Ramirez, Thermoelectric properties of pure and doped femsb (m= v, nb) · 2000
Earlier work this paper cites.
Reviews of modern Physics 73
S. Baroni, S. De Gironcoli, A. Dal Corso, P. Giannozzi, Phonons and related crystal properties from density-functional perturbation theory · 2001
Earlier work this paper cites.
The Journal of Chemical Physics 114
E.H. Hardy, A. Zygar, M.D. Zeidler, M. Holz, F.D. Sacher, Isotope effect on the translational and rotational motion in liquid water and ammonia · 2001
Earlier work this paper cites.
Physical Review B 68
G. Voronin, C. Pantea, T. Zerda, L. Wang, Y. Zhao, In situ x-ray diffraction study of silicon at pressures up to 15.5 gpa and temperatures up to 1073 k · 2003
Earlier work this paper cites.
Physical Review B 69
W. Shinoda, M. Shiga, M. Mikami, Rapid estimation of elastic constants by molecular dynamics simulation under constant stress · 2004
Earlier work this paper cites.
The Journal of Physical Chemistry B 108
I.C. Yeh, G. Hummer, System-size dependence of diffusion coefficients and viscosities from molecular dynamics simulations with periodic boundary conditions · 2004
Earlier work this paper cites.
Physical review letters 97
C.J. Pickard, R. Needs, High-pressure phases of silane · 2006
Earlier work this paper cites.
10.1007/0-387-25100-6_2
D. Morelli, G. Slack, High Lattice Thermal Conductivity Solids (2006), pp. 37–68 · 2006
Earlier work this paper cites.
The Journal of Physical Chemistry C 111
T. Li, G. Galli, Electronic properties of mos2 nanoparticles · 2007
Earlier work this paper cites.
Physical review letters 101
A. Soper, C. Benmore, Quantum differences between heavy and light water · 2008
Earlier work this paper cites.
Physical review letters 100
J.P. Perdew, A. Ruzsinszky, G.I. Csonka, O.A. Vydrov, G.E. Scuseria, L.A. Constantin, X. Zhou, K. Burke, Restoring the density-gradient expansion for exchange in solids and surfaces · 2008
Earlier work this paper cites.
Langmuir 26
X. Hu, G. Li, J.C. Yu, Design, fabrication, and modification of nanostructured semiconductor materials for environmental and energy applications · 2010
Earlier work this paper cites.
Physics of the Solid State 52
P. Popov, P. Fedorov, V. Osiko, Thermal conductivity of single crystals with a fluorite structure: cadmium fluoride · 2010
Earlier work this paper cites.
Crystal growth & design 10
M. Mann, D. Thompson, K. Serivalsatit, T.M. Tritt, J. Ballato, J. Kolis, Hydrothermal growth and thermal property characterization of tho2 single crystals · 2010
Earlier work this paper cites.
Journal of Physics: Condensed Matter 23
C.J. Pickard, R. Needs, Ab initio random structure searching · 2011
Earlier work this paper cites.
Journal of Materials Chemistry 21
E.S. Toberer, A. Zevalkink, G.J. Snyder, Phonon engineering through crystal chemistry · 2011
Earlier work this paper cites.
Physical Review B 83
S. Sorella, M. Casula, L. Spanu, A. Dal Corso, Ab initio calculations for the β \beta -tin diamond transition in silicon: Comparing theories with experiments · 2011
Earlier work this paper cites.
Physical Chemistry Chemical Physics 13
C. Vega, J.L. Abascal, Simulating water with rigid non-polarizable models: a general perspective · 2011
Earlier work this paper cites.
Science 338
R.S. McWilliams, D.K. Spaulding, J.H. Eggert, P.M. Celliers, D.G. Hicks, R.F. Smith, G.W. Collins, R. Jeanloz, Phase transformations and metallization of magnesium oxide at high pressure and temperature · 2012
Earlier work this paper cites.
Nature materials 12
S. Curtarolo, G.L. Hart, M.B. Nardelli, N. Mingo, S. Sanvito, O. Levy, The high-throughput highway to computational materials design · 2013
Earlier work this paper cites.
APL materials 1
A. Jain, S.P. Ong, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, et al., Commentary: The materials project: A materials genome approach to accelerating materials innovation · 2013
Earlier work this paper cites.
Computational Materials Science 68
S.P. Ong, W.D. Richards, A. Jain, G. Hautier, M. Kocher, S. Cholia, D. Gunter, V.L. Chevrier, K.A. Persson, G. Ceder, Python materials genomics (pymatgen): A robust, open-source python library for materials analysis · 2013
Earlier work this paper cites.
Physical review B 88
L. Lindsay, D. Broido, T. Reinecke, Phonon-isotope scattering and thermal conductivity in materials with a large isotope effect: A first-principles study · 2013
Earlier work this paper cites.
American Mineralogist 98
W. Xiao, D. Tan, W. Zhou, J. Liu, J. Xu, Cubic perovskite polymorph of strontium metasilicate at high pressures · 2013
Cited alongside, same era.
A. Jain, S.P. Ong, G. Hautier, W. Chen, W.D. Richards, S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, et al., The materials project: A materials genome approach to accelerating materials innovation, apl mater (2013)
2013
Cited alongside, same era.
Nature nanotechnology 9
G. Fiori, F. Bonaccorso, G. Iannaccone, T. Palacios, D. Neumaier, A. Seabaugh, S.K. Banerjee, L. Colombo, Electronics based on two-dimensional materials · 2014
Cited alongside, same era.
The Journal of chemical physics 141
L.B. Skinner, C. Benmore, J.C. Neuefeind, J.B. Parise, The structure of water around the compressibility minimum · 2014
Cited alongside, same era.
The Journal of chemical physics 141
R.A. DiStasio, B. Santra, Z. Li, X. Wu, R. Car, The individual and collective effects of exact exchange and dispersion interactions on the ab initio structure of liquid water · 2014
Cited alongside, same era.
Materials Graph Library (2021)
T.W. Ko, M. Nassar, S. Miret, E. Liu, J. Qi, S.P. Ong · 2021
Later among the works it cites.
npj Computational Materials 7
H.C. Wang, S. Botti, M.A. Marques, Predicting stable crystalline compounds using chemical similarity · 2021
Later among the works it cites.
ACS Applied Energy Materials 5
S. Rakesh Roshan, N. Yedukondalu, R. Muthaiah, K. Lavanya, P. Anees, R.R. Kumar, T.V. Rao, L. Ehm, J.B. Parise, Anomalous lattice thermal conductivity in rocksalt iia–via compounds · 2021
Later among the works it cites.
Energy & Environmental Science 14
T. Zhu, R. He, S. Gong, T. Xie, P. Gorai, K. Nielsch, J.C. Grossman, Charting lattice thermal conductivity for inorganic crystals and discovering rare earth chalcogenides for thermoelectrics · 2021
Later among the works it cites.
Physical Review Materials 5
S. Ju, R. Yoshida, C. Liu, S. Wu, K. Hongo, T. Tadano, J. Shiomi, Exploring diamondlike lattice thermal conductivity crystals via feature-based transfer learning · 2021
Later among the works it cites.
Matter 4
A.S. Rosen, S.M. Iyer, D. Ray, Z. Yao, A. Aspuru-Guzik, L. Gagliardi, J.M. Notestein, R.Q. Snurr, Machine learning the quantum-chemical properties of metal–organic frameworks for accelerated materials discovery · 2021
alphaXiv searches the wider corpus for related work and actual follow-ups.
alphaXiv is searching for related work…
10.1201/b17045
A. Jha, Rare Earth Materials: Properties and Applications (2014), pp. 1–332 · 2014
Cited alongside, same era.
Journal of chemical theory and computation 10
S. Fritsch, R. Potestio, D. Donadio, K. Kremer, Nuclear quantum effects in water: A multiscale study · 2014
Cited alongside, same era.
Proceedings of the National Academy of Sciences 112
M.W. Tibbitt, C.B. Rodell, J.A. Burdick, K.S. Anseth, Progress in material design for biomedical applications · 2015
Cited alongside, same era.
npj Computational Materials 1
S. Kirklin, J.E. Saal, B. Meredig, A. Thompson, J.W. Doak, M. Aykol, S. Rühl, C. Wolverton, The open quantum materials database (oqmd): assessing the accuracy of dft formation energies · 2015
Cited alongside, same era.
Physical review letters 115
A. Seko, A. Togo, H. Hayashi, K. Tsuda, L. Chaput, I. Tanaka, Prediction of low-thermal-conductivity compounds with first-principles anharmonic lattice-dynamics calculations and bayesian optimization · 2015
Cited alongside, same era.
Physical review B 91
A. Togo, L. Chaput, I. Tanaka, Distributions of phonon lifetimes in brillouin zones · 2015
Cited alongside, same era.
Scientific data 2
M. De Jong, W. Chen, T. Angsten, A. Jain, R. Notestine, A. Gamst, M. Sluiter, C. Krishna Ande, S. Van Der Zwaag, J.J. Plata, et al., Charting the complete elastic properties of inorganic crystalline compounds · 2015
Cited alongside, same era.
Later among the works it cites.
npj Computational Materials 8
K. Choudhary, B. DeCost, C. Chen, A. Jain, F. Tavazza, R. Cohn, C.W. Park, A. Choudhary, A. Agrawal, S.J. Billinge, et al., Recent advances and applications of deep learning methods in materials science · 2022
Later among the works it cites.
Nature communications 13
S. Batzner, A. Musaelian, L. Sun, M. Geiger, J.P. Mailoa, M. Kornbluth, N. Molinari, T.E. Smidt, B. Kozinsky, E (3)-equivariant graph neural networks for data-efficient and accurate interatomic potentials · 2022
Later among the works it cites.
Nature Computational Science 2
C. Chen, S.P. Ong, A universal graph deep learning interatomic potential for the periodic table · 2022
Later among the works it cites.
arXiv preprint arXiv:2203.04810 (2022)
Y. Shi, S. Zheng, G. Ke, Y. Shen, J. You, J. He, S. Luo, C. Liu, D. He, T.Y. Liu, Benchmarking graphormer on large-scale molecular modeling datasets · 2022
Later among the works it cites.
Pymatviz: visualization toolkit for materials informatics (2022)
J. Riebesell, H. Yang, R. Goodall, S.G. Baird · 2022
Later among the works it cites.
Scientific Data 9
J. Schmidt, H.C. Wang, T.F. Cerqueira, S. Botti, M.A. Marques, A dataset of 175k stable and metastable materials calculated with the pbesol and scan functionals · 2022
Later among the works it cites.
arXiv preprint arXiv:2210.00579 (2022)
J. Schmidt, N. Hoffmann, H.C. Wang, P. Borlido, P.J. Carriço, T.F. Cerqueira, S. Botti, M.A. Marques, Large-scale machine-learning-assisted exploration of the whole materials space · 2022
Later among the works it cites.
Journal of Chemical Theory and Computation 18
H. Yang, M. Govoni, A. Kundu, G. Galli, Computational protocol to evaluate electron–phonon interactions within density matrix perturbation theory · 2022
Later among the works it cites.
Digital Discovery 1
K. Tolborg, J. Klarbring, A.M. Ganose, A. Walsh, Free energy predictions for crystal stability and synthesisability · 2022
Later among the works it cites.
arXiv preprint arXiv:2210.07237 (2022)
X. Fu, Z. Wu, W. Wang, T. Xie, S. Keten, R. Gomez-Bombarelli, T. Jaakkola, Forces are not enough: Benchmark and critical evaluation for machine learning force fields with molecular simulations · 2022
Later among the works it cites.
Computational Materials Science 208
A.M. Krajewski, J.W. Siegel, J. Xu, Z.K. Liu, Extensible structure-informed prediction of formation energy with improved accuracy and usability employing neural networks · 2022
Later among the works it cites.
Computational Materials Science 202
R. Tranås, O.M. Løvvik, O. Tomic, K. Berland, Lattice thermal conductivity of half-heuslers with density functional theory and machine learning: Enhancing predictivity by active sampling with principal component analysis · 2022
Later among the works it cites.
npj Computational Materials 8
A.S. Rosen, V. Fung, P. Huck, C.T. O’Donnell, M.K. Horton, D.G. Truhlar, K.A. Persson, J.M. Notestein, R.Q. Snurr, High-throughput predictions of metal–organic framework electronic properties: theoretical challenges, graph neural networks, and data exploration · 2022
Later among the works it cites.
Computer Physics Communications 273
Y. Xie, K. Shibata, T. Mizoguchi, A brute-force code searching for cell of non-identical displacement for csl grain boundaries and interfaces · 2022
Later among the works it cites.
arXiv preprint arXiv:2211.15173 (2022)
Y. Xie, K. Shibata, T. Mizoguchi, interface_master: Python package building csl and approximate csl interfaces of any two lattices–an effective tool for interface engineers · 2022
Later among the works it cites.
Computer Physics Communications 271
A.P. Thompson, H.M. Aktulga, R. Berger, D.S. Bolintineanu, W.M. Brown, P.S. Crozier, P.J. in’t Veld, A. Kohlmeyer, S.G. Moore, T.D. Nguyen, et al., Lammps-a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales · 2022
Later among the works it cites.
Nature pp. 1–6 (2023)
A. Merchant, S. Batzner, S.S. Schoenholz, M. Aykol, G. Cheon, E.D. Cubuk, Scaling deep learning for materials discovery · 2023
Later among the works it cites.
Nature Communications 14
A. Musaelian, S. Batzner, A. Johansson, L. Sun, C.J. Owen, M. Kornbluth, B. Kozinsky, Learning local equivariant representations for large-scale atomistic dynamics · 2023
Later among the works it cites.
Nature Machine Intelligence 5
B. Deng, P. Zhong, K. Jun, J. Riebesell, K. Han, C.J. Bartel, G. Ceder, Chgnet as a pretrained universal neural network potential for charge-informed atomistic modelling · 2023
Later among the works it cites.
arXiv preprint arXiv:2401.00096 (2023)
I. Batatia, P. Benner, Y. Chiang, A.M. Elena, D.P. Kovács, J. Riebesell, X.R. Advincula, M. Asta, W.J. Baldwin, N. Bernstein, et al., A foundation model for atomistic materials chemistry · 2023
Later among the works it cites.
arXiv preprint arXiv:2312.15492 (2023)
D. Zhang, X. Liu, X. Zhang, C. Zhang, C. Cai, H. Bi, Y. Du, X. Qin, J. Huang, B. Li, et al., Dpa-2: Towards a universal large atomic model for molecular and material simulation · 2023
Later among the works it cites.
arXiv preprint arXiv:2310.16802 (2023)
N. Shoghi, A. Kolluru, J.R. Kitchin, Z.W. Ulissi, C.L. Zitnick, B.M. Wood, From molecules to materials: Pre-training large generalizable models for atomic property prediction · 2023
Later among the works it cites.
Advanced Materials 35
J. Schmidt, N. Hoffmann, H.C. Wang, P. Borlido, P.J. Carriço, T.F. Cerqueira, S. Botti, M.A. Marques, Machine-learning-assisted determination of the global zero-temperature phase diagram of materials · 2023
Later among the works it cites.
arXiv preprint arXiv:2312.03687 (2023)
C. Zeni, R. Pinsler, D. Zügner, A. Fowler, M. Horton, X. Fu, S. Shysheya, J. Crabbé, L. Sun, J. Smith, et al., Mattergen: a generative model for inorganic materials design · 2023
Later among the works it cites.
Physical Review B 107
S. Zhang, R. Paul, S. Hu, M.A. Morales, Toward an accurate equation of state and b1-b2 phase boundary for magnesium oxide up to terapascal pressures and electron-volt temperatures · 2023
Later among the works it cites.
Angewandte Chemie International Edition 62
Y. Zhou, S.R. Elliott, V.L. Deringer, Structure and bonding in amorphous red phosphorus · 2023
Later among the works it cites.
arXiv preprint arXiv:2302.14102 (2023)
R. Ruff, P. Reiser, J. Stühmer, P. Friederich, Connectivity optimized nested graph networks for crystal structures · 2023
Later among the works it cites.
Science Advances 9
S. Chmiela, V. Vassilev-Galindo, O.T. Unke, A. Kabylda, H.E. Sauceda, A. Tkatchenko, K.R. Müller, Accurate global machine learning force fields for molecules with hundreds of atoms · 2023
Later among the works it cites.
Journal of Chemical Theory and Computation 19
T.W. Ko, J.A. Finkler, S. Goedecker, J. Behler, Accurate fourth-generation machine learning potentials by electrostatic embedding · 2023
Later among the works it cites.
T. Chen, S. Luo, D. He, S. Zheng, T.Y. Liu, L. Wang, Geomformer: A general architecture for geometric molecular representation learning (2023)
2023
Later among the works it cites.
Machine Learning: Science and Technology 4
A. Thomas-Mitchell, G. Hawe, P.L. Popelier, Calibration of uncertainty in the active learning of machine learning force fields · 2023
Later among the works it cites.
Journal of Chemical Theory and Computation 19
S. Thaler, G. Doehner, J. Zavadlav, Scalable bayesian uncertainty quantification for neural network potentials: promise and pitfalls · 2023
Later among the works it cites.
arXiv preprint arXiv:2308.14920 (2023)
J. Riebesell, R.E. Goodall, A. Jain, P. Benner, K.A. Persson, A.A. Lee, Matbench discovery–an evaluation framework for machine learning crystal stability prediction · 2023
Later among the works it cites.
J. Phys. Condens. Matter 35
A. Togo, L. Chaput, T. Tadano, I. Tanaka, Implementation strategies in phonopy and phono3py · 2023
Later among the works it cites.
J. Phys. Soc. Jpn. 92
A. Togo, First-principles phonon calculations with phonopy and phono3py · 2023
Later among the works it cites.
Physical Review B 107
W. Cao, J. Shi, R. Xiong, L. Miao, Z. Wang, Z. Liu, Anomalous thermal transport in mgse with diamond phase under pressure · 2023
Later among the works it cites.
The Journal of Chemical Physics 159
T.A. Purcell, M. Scheffler, L.M. Ghiringhelli, Recent advances in the sisso method and their implementation in the sisso++ code · 2023
Later among the works it cites.
Journal of Chemical & Engineering Data (2023)
Z. Chen, M.L. Berrens, K.T. Chan, Z. Fan, D. Donadio, Thermodynamics of water and ice from a fast and scalable first-principles neuroevolution potential · 2023
Later among the works it cites.
arXiv preprint arXiv:2401.04070 (2024)
C. Chen, D.T. Nguyen, S.J. Lee, N.A. Baker, A.S. Karakoti, L. Lauw, C. Owen, K.T. Mueller, B.A. Bilodeau, V. Murugesan, et al., Accelerating computational materials discovery with artificial intelligence and cloud high-performance computing: from large-scale screening to experimental validation · 2024
Closest in time.
Add strict_anions option to MaterialsProject2020Compatibility by mkhorton (2024)
M. Horton · 2024
Closest in time.
Phonon predictions with e(3)-equivariant graph neural networks (2024)
S. Fang, M. Geiger, J.G. Checkelsky, T. Smidt · 2024
Closest in time.
10.1145/3620665.3640366
J. Ansel, E. Yang, H. He, N. Gimelshein, A. Jain, M. Voznesensky, B. Bao, P. Bell, D. Berard, E. Burovski, G. Chauhan, A. Chourdia, W. Constable, A. Desmaison, Z. DeVito, E. Ellison, W. Feng, J. Gong, M. Gschwind, B. Hirsh, S. Huang, K. Kalambarkar, L. Kirsch, M. Lazos, M. Lezcano, Y. Liang, J. Liang, Y. Lu, C. Luk, B. Maher, Y. Pan, C. Puhrsch, M. Reso, M. Saroufim, M.Y. Siraichi, H. Suk, M. Suo, P. Tillet, E. Wang, X. Wang, W. Wen, S. Zhang, X. Zhao, K. Zhou, R. Zou, A. Mathews, G. Chanan, P. Wu, S. Chintala, PyTorch 2: Faster Machine Learning Through Dynamic Python Bytecode Transformation and Graph Compilation , in 29th ACM International Conference on Architectural Support for Programming Languages and Operating Systems, Volume 2 (ASPLOS ’24) (ACM, 2024) · 2024
Closest in time.
arXiv preprint arXiv:2402.03753 (2024)
A.R. Tan, J.C. Dietschreit, R. Gomez-Bombarelli, Enhanced sampling of robust molecular datasets with uncertainty-based collective variables · 2024
Closest in time.
Private communication (2024)
A. Togo · 2024
Closest in time.
GPTA: Github repository for gpt assisted tasks
M. Praiteri · 2024
Closest in time.