arXiv:2607. 10388v1 Announce Type: cross Abstract: Artificial intelligence (AI) is transforming electron microscopy by enabling quantitative analysis of increasingly large and complex datasets for nanoparticle characterization.
By Evropi Toulkeridou, Jiafei Li, Leonardo Lari, Panagiotis Grammatikopoulos
arXiv:2608. 03260v1 Announce Type: new Abstract: Pretraining has shown strong potential for learning transferable representations, yet it remains underexplored for electron-density-based molecular learning.
By Liang Shuang, Haocheng Wang, Jiayi Song, Shuquan Ye, Ben Fei
arXiv:2608. 06448v1 Announce Type: cross Abstract: Recovering a periodic 3D crystal structure from sparse, unindexed electron diffraction (ED) observations is a challenging generative inverse problem.
By Germain Poloudenny, Ya\"el Fr\'egier, Arnaud Demorti\`ere
arXiv:2505. 12650v2 Announce Type: replace-cross Abstract: Reconstructing atomistic crystal structures from a single noisy STEM projection is an ill-posed inverse problem: multiple lattices can explain similar contrast, and purely feed-forward models cannot verify physical validity.
By Yaotian Yang, Yiwen Tang, Yizhe Chen, Xiao Chen, Jiangjie Qiu, Hao Xiong, Haoyu Yin, Zhiyao Luo, Yifei Zhang, Sijia Tao, Wentao Li, Qinghua Zhang, Yuqiang Li, Wanli Ouyang, Bin Zhao, Xiaonan Wang, Fei Wei
arXiv:2605. 26833v2 Announce Type: replace-cross Abstract: Polymers underpin applications across energy, healthcare, and materials science, yet their vast chemical space makes systematic discovery challenging.
By Yasharth Yadav, Tze Kwang Gerald Er, Atsushi Goto, Kelin Xia
arXiv:2509. 15908v3 Announce Type: replace-cross Abstract: Nanoporous materials hold promise for diverse sustainable applications, yet their vast chemical space poses challenges for efficient design.
By Zhenhao Zhou, Salman Bin Kashif, Jin-Hu Dou, Chris Wolverton, Kaihang Shi, Tao Deng, Zhenpeng Yao
arXiv:2606. 09419v1 Announce Type: cross Abstract: Artificial intelligence is rapidly advancing materials characterization, yet most applications in electron microscopy rely solely on image contrast, overlooking the chemical and experimental context that shapes image formation.
By Jiadong Dan, Cheng Zhang, Leyi Loh, Ivan Verzhbitskiy, Yuan Chen, Goki Eda, Michel Bosman, N. Duane Loh
arXiv:2607. 28776v1 Announce Type: new Abstract: Generative machine learning is increasingly used for inorganic crystal structure generation.
By Paul Hagemann, Katharina Ueltzen, Simon M\"uller, Janine George, Philipp Benner
arXiv:2606. 06554v1 Announce Type: cross Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination.
By Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor
arXiv:2507. 03853v2 Announce Type: replace Abstract: We introduce OrbitAll, a geometry- and physics-informed deep learning framework that encodes any molecular system with arbitrary charges, spins, and environmental effects using electronic structure information.
By Beom Seok Kang, Vignesh C. Bhethanabotla, Amin Tavakoli, Maurice D. Hanisch, Arimitsu Horikawa-Strakovsky, Miguel Nouman, Danish Khan, William A. Goddard III, Anima Anandkumar
arXiv:2607. 20871v1 Announce Type: cross Abstract: Scaling semiconductor quantum dot arrays toward fault-tolerant quantum computing requires efficient tuneup of spin qubits, a process that depends on the analysis of charge stability maps (CSMs) and remains largely manual.
By Hyma Vallabhapurapu, Marco Candido, Krishna Choudhary, Paul Steinacker, Ensar Vahapoglu, Chris Escott, Wee Han Lim, Andre Saraiva, Nard Dumoulin Stuyck, MengKe Feng
arXiv:2606. 06554v2 Announce Type: replace-cross Abstract: Reliable polymer identification is essential for ensuring the quality and safety of recycled plastics, yet conventional sorting and spectroscopic techniques often struggle to deliver robust discrimination.
By Roshni Mahtani, Il\'an Carretero, Laura Monroy, Aldo Moreno-Oyervides, Oscar El\'ias Bonilla-Manrique, Roc\'io del Amor