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Ceriotti, Michele
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1

Thermal transport of Li$_3$PS$_4$ solid electrolytes with a..:

Tisi, Davide ; Grasselli, Federico ; Gigli, Lorenzo.
http://arxiv.org/abs/2401.12936.  , 2024
Link: http://arxiv.org/abs/240..
 
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2

Accelerated chemical science with AI:

Back, Seoin ; Aspuru-Guzik, Alán ; Ceriotti, Michele...
https://orbit.dtu.dk/en/publications/734949a2-506f-4fd5-898a-bae2aa85ede9.  , 2024
Link: https://orbit.dtu.dk/en/..
 
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3

Local invertibility and sensitivity of atomic structure-fea..:

Zhang, Liwei ; Csányi, Gábor ; Pozdnyakov, Sergey N..
https://www.repository.cam.ac.uk/handle/1810/356978.  , 2023
Link: https://www.repository.c..
 
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4

Robustness of Local Predictions in Atomistic Machine Learni..:

Chong, Sanggyu ; Grasselli, Federico ; Mahmoud, Chiheb Ben...
http://arxiv.org/abs/2306.15638.  , 2023
Link: http://arxiv.org/abs/230..
 
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5

Fast evaluation of spherical harmonics with sphericart:

Bigi, Filippo ; Fraux, Guillaume ; Browning, Nicholas J.
http://arxiv.org/abs/2302.08381.  , 2023
Link: http://arxiv.org/abs/230..
 
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6

Physics-inspired Equivariant Descriptors of Non-bonded Inte..:

Huguenin-Dumittan, Kevin K ; Loche, Philip ; Haoran, Ni.
http://arxiv.org/abs/2308.13208.  , 2023
Link: http://arxiv.org/abs/230..
 
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7

A data-driven interpretation of the stability of organic mo..:

Cersonsky, Rose K ; Pakhnova, Maria ; Engel, Edgar A.
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC9891366/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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8

Completeness of Atomic Structure Representations:

Nigam, Jigyasa ; Pozdnyakov, Sergey N ; Huguenin-Dumittan, Kevin K.
http://arxiv.org/abs/2302.14770.  , 2023
Link: http://arxiv.org/abs/230..
 
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9

Electronic excited states from physically-constrained machi..:

Cignoni, Edoardo ; Suman, Divya ; Nigam, Jigyasa...
http://arxiv.org/abs/2311.00844.  , 2023
Link: http://arxiv.org/abs/231..
 
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10

Wigner kernels: body-ordered equivariant machine learning w..:

Bigi, Filippo ; Pozdnyakov, Sergey N ; Ceriotti, Michele
http://arxiv.org/abs/2303.04124.  , 2023
Link: http://arxiv.org/abs/230..
 
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11

Surface segregation in high-entropy alloys from alchemical ..:

Mazitov, Arslan ; Springer, Maximilian A ; Lopanitsyna, Nataliya...
http://arxiv.org/abs/2310.07604.  , 2023
Link: http://arxiv.org/abs/231..
 
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12

Robustness of Local Predictions in Atomistic Machine Learni..:

Chong, Sanggyu ; Grasselli, Federico ; Ben Mahmoud, Chiheb...
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688186/.  , 2023
Link: http://www.ncbi.nlm.nih...
 
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13

A data-driven interpretation of the stability of organic mo..:

Cersonsky, Rose K ; Pakhnova, Maria ; Engel, Edgar A.
https://www.repository.cam.ac.uk/handle/1810/347427.  , 2023
Link: https://www.repository.c..
 
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14

Bispectrum degenerate B8 data:

Nigam, Jigyasa ; Ceriotti, Michele
info:eu-repo/grantAgreement/EC/H2020/101001890/.  , 2023
Link: https://zenodo.org/recor..
 
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15

Smooth, exact rotational symmetrization for deep learning o..:

Pozdnyakov, Sergey N ; Ceriotti, Michele
http://arxiv.org/abs/2305.19302.  , 2023
Link: http://arxiv.org/abs/230..
 
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