Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations | Paper Citation Record

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This paper cites Hohenberg, W.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hohenberg, W

Reference 1

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Reference 2

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This paper cites Burke, Perspective on density functional theory, The Jour- nal of Chemical Physics 136 (15) (2012) 150901.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Burke, Perspective on density functional theory, The Jour- nal of Chemical Physics 136 (15) (2012) 150901

Reference 3

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Reference 4

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Reference 5

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This paper cites Hammes-Schiffer, Exploring proton-coupled electron transfer at mul- tiple scales, Nature Computational Science 3 (4) (2023) 291–300.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hammes-Schiffer, Exploring proton-coupled electron transfer at mul- tiple scales, Nature Computational Science 3 (4) (2023) 291–300

Reference 6

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Reference 7

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Reference 8

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This paper cites Huang, J.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Huang, J

Reference 9

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This paper cites Zhang, X.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Zhang, X

Reference 10

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This paper cites Cangi, S.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Cangi, S

Reference 11

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Reference 12

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This paper cites Brockherde, L.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Brockherde, L

Reference 15

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This paper cites Goodfellow, Y.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Goodfellow, Y

Reference 17

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Reference 21

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This paper cites Raina, A.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Raina, A

Reference 22

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This paper cites Fiedler, N.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, N

Reference 23

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Reference 24

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This paper cites Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dy- namics, J.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Plimpton, Fast Parallel Algorithms for Short-Range Molecular Dy- namics, J

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This paper cites Paszke, S.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Paszke, S

Reference 26

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Giannozzi, S

Reference 27

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Giannozzi, O

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Giannozzi, O

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Kresse, J

Reference 30

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Kresse, J

Reference 31

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This paper cites Kresse, J.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Kresse, J

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Virtanen, R

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, Z

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This paper cites Fiedler, Development and application of scalable density functional theory machine learning models (2024).

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, Development and application of scalable density functional theory machine learning models (2024)

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Gottschalk, Calculation of pair and triplet correlation functions for a Lennard-Jones fluid at ρ∗ ≤1.41 and T ∗ ≤25, AIP Adv

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Lysogorskiy, C

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Drautz, Atomic Cluster Expansion for Accurate and Transferable Interatomic Potentials, Phys

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, K

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Musil, A

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Dusson, M

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, N

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Adam: A Method for Stochastic Optimization

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hutter, J

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Direct Search

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This paper cites Zhang, X.

Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Zhang, X

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Bergstra, R

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Akiba, S

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Reference 61

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Darden, D

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations rep., University of Tennessee, Knoxville TN (1994)

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Nickolls, I

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hutchinson, M

Reference 67

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hacene, A

Reference 68

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Giannozzi, O

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Trott, L

Reference 72

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations A Distributed Data-Parallel PyTorch Implementation of the Distributed Shampoo Optimizer for Training Neural Networks At-Scale

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations PyTorch Distributed: Experiences on Accelerating Data Parallel Training

Reference 74

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Huebl, R

Reference 76

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Reference 78

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Donohue, Structures of the Elements, John Wiley and Sons, Inc., New York, 1974

Reference 80

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Fiedler, A

Reference 81

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Kresse, D

Reference 84

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Nos´ e, A unified formulation of the constant temperature molecular dynamics methods, Chem

Reference 85

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations van Setten, M

Reference 88

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Kohn, Density Functional and Density Matrix Method Scaling Lin- early with the Number of Atoms, Phys

Reference 91

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Prodan, W

Reference 92

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Agrawal, R

Reference 94

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Pizzi, A

Reference 96

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Uhrin, S

Reference 97

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Nakata, J

Reference 98

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations Hern´ andez, M

Reference 99

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Materials Learning Algorithms (MALA): Scalable Machine Learning for Electronic Structure Calculations in Large-Scale Atomistic Simulations VandeVondele, U

Reference 100

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