Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics

30 July 2017

Papers citing "Deep Potential Molecular Dynamics: a scalable model with the accuracy of quantum mechanics"

8 / 8 papers shown

Title
Learning local equivariant representations for quantum operators Zhanghao Zhouyin Zixi Gan MingKang Liu S. K. Pandey Linfeng Zhang Qiangqiang Gu 116 3 0 28 Jan 2025
CrySPAI: A new Crystal Structure Prediction Software Based on Artificial Intelligence Zongguo Wang Ziyi Chen Yang Yuan Yangang Wang 48 0 0 28 Jan 2025
Neural Network Matrix Product Operator: A Multi-Dimensionally Integrable Machine Learning Potential Kentaro Hino Yuki Kurashige 134 0 0 31 Oct 2024
KALE-LM: Unleash The Power Of AI For Science Via Knowledge And Logic Enhanced Large Model Weichen Dai Yezeng Chen Zijie Dai Zhijie Huang Yang Liu ... Chengli Zhong Xinhe Li Zeyu Wang Zhuoying Feng Yi Zhou 56 0 0 27 Sep 2024
Polynomial-Augmented Neural Networks (PANNs) with Weak Orthogonality Constraints for Enhanced Function and PDE Approximation Madison Cooley Shandian Zhe Robert M. Kirby Varun Shankar 98 1 0 04 Jun 2024
Differentiable sampling of molecular geometries with uncertainty-based adversarial attacks Daniel Schwalbe-Koda Aik Rui Tan Rafael Gómez-Bombarelli AAML 48 60 0 27 Jan 2021
Differentiable Molecular Simulations for Control and Learning Wujie Wang Simon Axelrod Rafael Gómez-Bombarelli AI4CE 148 49 0 27 Feb 2020
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning M. Rupp A. Tkatchenko K. Müller O. A. von Lilienfeld AI4CE 120 1,581 0 12 Sep 2011