Machine Learning for Electronic Structure– Now Open for Submissions!

Submit to this Special Topic today View in Browser SUBMIT AN ARTICLE MANAGE MY ALERTS ABOUT THE JOURNAL The Journal of Chemical Physics Call for Papers Special Topic: Machine Learning for Electronic Structure Machine learning has become a powerful tool to replace or accelerate electronic-structure calculations, for example by predicting interatomic potentials with high accuracy and low cost. Increasingly, ML is also integrated into modern quantum chemistry and electronic-structure theory, enhancing algorithms that describe the quantum behavior of electrons in molecules and materials. This Special Issue highlights three complementary themes:   Learning the ingredients of electronic-structure calculations: Contributions predicting electron densities, Hamiltonian elements, or other effective one- and two-body operators from atomic configurations, while exploiting symmetries and uncertainty quantification, are encouraged.   ML-accelerated many-body methods: Studies embedding ML models into wave-function theories—from coupled-cluster and multireference to variational and diffusion Monte Carlo—aiming to reduce scaling, extend reach, or improve accuracy.   Data-driven density functionals: Manuscripts developing and testing exchange–correlation functionals, kinetic-energy functionals, or orbital-free models with supervised, unsupervised, or reinforcement learning are welcome. Topics covered include, but are not limited to: • Machine learning (ML) • Electronic-structure calculations • Interatomic potentials • Quantum chemistry • Electronic-structure theory • Quantum mechanical behavior Guest Editors Michele Pavanello, Rutgers University Frank Noe, Microsoft Research AI for Science Julia Westermayr, University of Leipzig Submission Deadline: March 31, 2026 LEARN MORE > Tell Us What You Think! Did you like this email? Yes > No >  Follow us on social media   Copyright © 2025 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. To guarantee delivery of this email please add journals@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings. Privacy Policy

Volume 96, Issue 10 TOC Alert

Read these papers now View in Browser CURRENT ISSUE MANAGE MY ALERTS ABOUT THE JOURNAL  Review of Scientific Instruments Volume 96, Issue 10  01 October 2025 Latest Issue ALL ARTICLES > A new, ultra-stable lab for nano-metrology of x-ray optics at Diamond Light Source S. G. Alcock,I.-T. Nistea,M. Bazan da Silva,J. Kelly,G. Preece,A. Howell,H. Wang,K. Sawhney READ MORE > Automatic design varied-line-spacing grating using ray-tracing method: A proof-of-concept study Zhetong Li,Jiatai Feng,Xuerong Liu READ MORE > Flow visualization in CO2 two-phase ejector in refrigeration system Linan Guan,Zherui Chen,Jingyue Sun,Yan Qin,Cong Chen,Bo Dong,Weizhong Li READ MORE > A review of the development of instrument and meter inspection robot Linkang Yang,Wan Ma,Wenlong Dai,Xiaoqing Zhao,Daolong Yang,Yuming Cui,Lie Li READ MORE > High-performance laser system for compact cold-atom optical clock Binghong Yu,Bowen Yang,Haojie Zhao,Meifeng Ye,Yuhan Yan,Xuejie Li,Jinyin Wan,Jianliao Deng,Huadong Cheng READ MORE > Noise reduction in spectroscopic detection with compressed sensing Junyan Sun,Deran Zhang,Ziqian Cheng,Dazhi Xu,Hui Dong READ MORE > Broadband optical modulation and control at millikelvin temperatures N. Tabassum,T. Aralis,J. Anczarski,D. Baxter,B. Cabrera,R. Chapla,N. Entin,L. Hsu,H. W. Magoon,A. Nunez,G. Pérez,J. L. Ryan,M. Salatino,A. Simchony,Z. J. Smith,S. Stevens,H. Stueber,B. A. Young,N. A. Kurinsky,K. Stifter READ MORE > Twisted radio frequency ion traps for all-metal string ion traps Taro Hasegawa READ MORE > Optical trapping and axial manipulation with annular laser beams Sumit Yadav,Abdul Alim,Arijit K. De READ MORE > Tandem electrostatic lens as a zoom system to achieve ultra-high magnification in microscope imaging mass spectrometry J. Aoki,M. Ueda READ MORE > Novel application of neutrinos to evaluate U.S. nuclear weapons performance J. R. Distel,E. C. Dunton,J. M. Durham,A. C. Hayes,W. C. Louis,J. D. Martin,G. W. Misch,M. R. Mumpower,Z. Tang,R. T. Thornton,B. T. Turner,R. G. Van de Water,W. S. Wilburn READ MORE > Long-term x-ray suppression system in an accelerating tube Ihor H. Ihnatiev,Myhailo I. Zakharets,Sergey V. Kolinko,Aleksandr G. Ponomarev,Dmytro P. Shulha READ MORE > Development and validation of a high-bandwidth coaxial wall current monitor for sub-nanosecond beam bunch characterization Monika Phogat,Jose V. Mathew,Rajesh Kumar READ MORE > Commissioning of the new extended hard X-ray source for laser MégaJoule laser X-ray cameras calibration—Application to radiometric calibrations of two X-ray CCD and one X-ray framing camera S. Hubert READ MORE > Neutral particle analyzer for plasma diagnostics on tokamak ST40 S. Polosatkin,V. Belykh,A. Rovenskikh READ MORE > Static characterization of a highly optimized streak tube design incorporating a steering slot anode and an aberration-corrected Einzel lens A. E. Raymond,N. Pelepchan,J. Hassett,R. Boni READ MORE > Design, fabrication new structures of thin-film probes for plasma magnetic field diagnostics Zhi Li,Lingfeng Lu,Chaofeng Gu,Hao Liu,Hong Zhang,Chenyu Liao,Hanchen Li,Chenggonghang Zhou,Huaiqing Zhang READ MORE > A laser-induced fluorescence diagnostic for simultaneous ion–neutral interaction measurements in ionospheric-like plasmas Junnan Jiang,Yisen Zhang,Yu Liu,Zhifei Yu,Jinpu Zhang,Rong Jin,Pengcheng Yu,Jiuhou Lei READ MORE > Strong-coupling quantum dot microscope Eric Goodwin,Elinore McLain,Kaedon Cleland-Host,Genda Gu,Stuart Tessmer READ MORE > A compact, all-digital microwave impedance microscopy system with automatic baseline cancellation Adam Pierce,Amogh Yogesh Waghmare,Eric Y. Ma READ MORE > A nanocalorimeter designed for use with high-resolution transmission electron microscopy Izak McGieson,Shane Q. Arlington,Lakshmi Ravi Narayan,William Osborn,Michael D. Grapes,Timothy P. Weihs,Melissa K. Santala,David A. LaVan,Feng Yi READ MORE > White-ray computed tomography using a power light-emitting diode and self-wavelength selection Reina Sato,Eiichi Sato,Yuichi Sato,Jiro Sato,Kazuki Ito,Osahiko Hagiwara,Toshiyuki Enomoto,Manabu Watanabe READ MORE > High-power impulse magnetron re-sputtering/sputtering apparatus for Nb–Cu 1.3 GHz RF cavities Peng Dong,Yanjiang Wang,Jianjun Xiao,Meiling Bao,Xin Liu,Zhaoxi Chen,Jinfang Chen,Dong Wang,Xuerong Liu,Yulin Chen,Zhi Liu,Jun Li READ MORE > Point-contact Andreev reflection spectroscopy of layered superconductors with device-integrated diamond anvil cells Che-hsuan Ku,Omargeldi Atanov,King Yau Yip,Wenyan Wang,Siu Tung Lam,Jiayu Zeng,Wei Zhang,Zheyu Wang,Lingfei Wang,Tsz Fung Poon,Rolf Lortz,Swee K. Goh READ MORE > A versatile setup for symmetry-resolved ultrafast dynamics of quantum materials Khalid M. Siddiqui,Hanna Strojecka,Thomas H. Meyland,Nitesh Khatiwada,Nikolaj Klinkby,Daniel Pérez-Salinas,Simon E. Wall READ MORE > Optimizing ablator thickness for laser shock experiments P. A. Rigg,P. Renganathan,N. W. Sinclair,Y. Toyoda,X. Wang,Y. M. Gupta READ MORE > Development of atomic-scale thin-film deposition system for perpendicular magnetic tunnel junctions with high tunneling magnetoresistance Siyuan Cheng,Houyi Cheng,Yuxuan Yao,Sylvain Eimer,Boyu Zhang,Xinhang Guo,Daoqian Zhu,Shiqi Wang,Yulong Qiu,Song Chen,Renyou Xu,Jiaxu Li,Yan Li,Jiemin Fang,Aiwen Chen,Yang Liu,Weisheng Zhao READ MORE > The performance and analysis of the TianQin station during its first full moon ranging A. Xida Han,B. Hui Li,C. XuDong Lin,D. XianLin Wu,E. ShanQing Yang,F. Yi Dai,G. Ming Li,H. ZhiGang Wu READ MORE > Ultra-high resolution tilt calibration and real-time compensation for cold atom gravimeters Zhiye Song,Yaning Wang,Guangming Wang,Weijing Zhao,Lingxiao Zhu READ MORE > GraFIT: A toolbox for fast and accurate frequency response identification in gravitational wave detectors M. van Dael,M. van Haren,G. Witvoet,B. Swinkels,T. Oomen READ MORE > An experimental verification of a double torsion pendulum as a technique for the measurement of cross coupling in gravitational reference sensors for space-based gravitational wave detectors Yu-You Duan,Ling-Hao Ai,Bing-Jie Wang,Shan-Qing Yang,Lin Zhu,Jia-Hao Xu,Qi Liu READ MORE > Enhanced suppression of seismic noise effect via active vibration isolation in torsion pendulum testing for space-borne inertial sensors Li Liu,Jia Li,Jianbo Yu,Hongtao Zhou,Bin Mei,Zebing Zhou READ MORE > Revolutionizing brain–computer interfaces: Compact and high-speed wireless neural signal acquisition Mingfeng Liu,Xudong Guo,Liling Cao,Haipo Cui,Zihao Li,Yong Lin,Ziming Yin,Wentao Quan,Chengcong Feng,Tianyu Ma,Zhengtuo Zhao,Liu Yang,Lei Yao,Xuan Zhang,Gang Wang READ MORE > A hybrid gradient coil design method generating ultra-high gradient magnetic field for micro-MRI utilization Hongyan He,Yaohui Wang,Zheng Wang,Shufeng Wei,Huixian Wang,Feng Liu,Wenhui Yang,Qiuliang Wang READ MORE > An intelligent control strategy for high-flow nasal cannula based on electrical impedance tomography Tian Peng,Guojun Li,Zhiwei Li,Yang Wu,Kai Liu,Jiafeng Yao READ MORE > An analytical solution for the secondary capacitor charging time of Tesla transformer with different optimal coupling coefficients Wu Wang,Zhiqiang Fan,Jie Zhao,Kun Wei,Zuoxian Xiang READ MORE > A repetitive high voltage pulse generator based on a novel racetrack Blumlein type pulse forming line Zilong Pan,Xinbing Cheng,Rong Chen,Hanwen Zhang,Rupei Li,Renjie Zhang,Baoliang Qian READ MORE > Development of an adjustable rectangular pulse electrical overstress test system for electronic device robustness and dynamic response characterization Yanan Wang,Yuheng He,Minghao Wang,Shushu Zeng,Weidong Ding READ MORE > A capacitor divider with bandwidth over 10 GHz Fan Guo,Bing Wei,Le Xu,Chongbiao Luan,Zhaohui Zhang,Meng Wang,Weiping Xie READ MORE > Fast magnetic coil controller for cold atom experiments L. Uhthoff-Rodríguez,A. Hernández-López,E. G. Alonso-Torres,E. Esquivel-Ramírez,G. Carmona-Torres,C. Gardea-Flores,J. A. Seman,A. Paris-Mandoki READ MORE > High-density wiring solution for 500-qubit scale superconducting quantum processors J. J. Tian,Y. Song,P. Liu,W. G. Zhang,H. F. Yu,Y. R. Jin READ MORE > Equivalent study of stray magnetic field of extra-large current transformer based on finite element simulation Jingqi Han,Yuzhou Sha,Xin Li,Yanrui Yang,Guoqing Zhang READ MORE > Effect of materials with different permittivity on the sensing depth of open-ended coaxial probes at different frequencies Guifeng Yang,Shaohua Zhou,Jinkang Xiao,Hui Zhang,Jianhua Yang READ MORE > Design and implementation of multi-channel high-precision and large dynamic range data acquisition system Guanlin Wang,Guofu Wei READ MORE > A low-impedance radio-frequency circuit for fast spin manipulations in cold alkali atoms F. Scazza,G. Del Pace,L. Pieri,R. Concas,W. J. Kwon,G. Roati READ MORE > Dynamic characterization of a slug calorimeter via transfer function modeling Xuehui Zhang,Chundong Xu,Deren Kong,Zhenyu Xiong READ MORE > Thermocouple dynamic characteristics compensation based on improved equilibrium optimizer algorithm Qianfang Xie,Zhijie Zhang,Yanfeng Li,Yangkai Guo READ MORE > Design, control, and experimental study of a piezoelectric bimorph-based microgripper Jie He,Pingqing Fan,Haibing Long,Xipei Ma,Haonan Niu,Weipeng Bi READ MORE > Flexible fish-tail piezoelectric pump with bidirectional pumping characteristic Naiyue Wang,Zhaoqiang Chen,Junxuan Mai,Wenbiao Li,Yuxin Wen,Jianhui Zhang,Fan Zhang READ MORE > Low-noise and compact detection system using RF MEMS switch for solid-state NMR spectroscopy at cryogenic temperature: Proof-of-concept experiment Sotaro Nishioka,Naoki Sakuyama,Ken Obara,Akiko T. Saito,Mitsuharu Yashima,Hidekazu Mukuda READ MORE > Follow us on social media   Copyright © 2025 AIP Publishing. All rights reserved. 1305 Walt Whitman Rd., Melville, NY 11747 You are receiving this email because you have opted-in to receive alerts from us. To guarantee delivery of this email please add alerts@aip-info.org to your address book and safe senders list. If you no longer wish to receive emails from us then please unsubscribe or amend your settings. Privacy Policy