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专辑征稿 | 化学、材料科学和生物技术中的量子计算 - Digital Discovery

RSC英国皇家化学会 • 4 天前 • 44 次点击  


英国皇家化学会旗下权威期刊 Digital Discovery 现发布最新专题合辑征稿通知——化学、材料科学和生物技术中的量子计算》(Quantum Computing in Chemistry, Material Science and Biotechnology
我们诚邀相关领域的原创研究论文和综述稿件。被接收的稿件将优先在线发表,并获得广泛的学术推广。开放投稿截至 8 月 11 日

本专题合辑由制药巨头勃林格殷格翰量子实验室 Matthias Degroote 博士哈佛大学 Joonho Lee 教授以及子计算软件公司 QC Ware Pauline Ollitrault 博士担任客座编辑。



引言

本专题合辑欢迎来自量子计算机在化学、材料科学和生物技术领域的理论和应用的投稿。我们尤其欢迎能够拓展量子计算机当前应用领域,并引入创新方法以发现、表征和生成新分子的论文。我们将考虑near-term算法、容错算法以及对现有算法的改进和全新的工作流。
工作方向主题包括但不限于:
  • 经典计算机与量子计算机之间的协同作用,并充分利用两者的优势;
  • 利用机器学习和数据降低量子计算成本;
  • 针对特定化学体系子集或相互作用类型定制算法;
  • 利用可从量子计算机高效提取的数据预测化学性质。

客座编辑

Matthias Degroote

Dr. Matthias Degroote is investigating the application of quantum computers in drug design at Boehringer Ingelheim. He is a quantum chemist who has approached the quantum many-body problem from the classical and quantum computing sides. Matthias received a PhD in physics from Ghent University working on Green’s functions and has gone on from there to do postdoctoral research in method development at Ghent University and Rice University. Since 2018 his research is centered around the application of quantum computers for which he has held postdoctoral positions at Harvard University and University of Toronto.








Joonho Lee

Joonho completed his Ph.D. work in chemistry at the University of California, Berkeley, under the guidance of Prof. Martin Head-Gordon. His main contributions include the development of regularized perturbation theory, coupled-cluster valence bond theory for strong correlation, and an efficient quantum circuit ansatz for chemistry. Joonho's dissertation, titled Postmodern Electronic Structure Theory, was recognized by the 2020 Justin Jankunas Doctoral Dissertation Award in American Physical Society. Since his graduation in 2019, Joonho has been a postdoc in the Reichman group at Columbia University developing expertise in materials, quantum dynamics, and vibronic problems. Joonho is also a visiting faculty researcher at Google Quantum AI, where he develops and applies quantum algorithms for electronic structure problems. 








Pauline Ollitrault



Pauline Ollitrault became a Staff Scientist at QC Ware Corp., France in 2022. Before that she worked at IBM Quantum, IBM Research – Zürich as a research staff member since 2021 after completing her PhD on the subject of quantum algorithms for quantum chemistry jointly between IBM Research and the chemistry department of ETHZ. Her research focuses on applications of quantum computers to chemistry problems such as electronic and vibrational structure calculations as well as quantum dynamics.



  开放投稿截至 8 月 11 日    

如果您准备向本合集投稿,请发送电子邮件至digitaldiscovery-rsc@rsc.org,我们将设置投稿链接供您投稿。如有任何问题也欢迎通过本邮箱联系编辑部。

Promotion of the collection is scheduled for promotion in late 2025, with articles published online as soon as they’re accepted. Authors are welcome to submit original research in the form of a Communication or Full Paper. Authors who would like to contribute a Review article should contact the Editorial office with their proposal. 

The Editorial Office reserves the right to check suitability of submissions for both the journal and the scope of the collection, and inclusion of accepted articles in the final themed collection is not guaranteed. You can find out more detailed information about our journal scope and our valued editorial board members on our website. If you have any questions about the journal or the collection, please contact us at the above address.


期刊介绍

Image
Digital technologies that bring the future closer
Image

rsc.li/digitaldiscovery

Digital Discovery

2-年影响因子*6.2
5-年影响因子*6.2
JCR 分区*Q1 计算机科学 - 跨学科应用
Q1 化学-跨学科
CiteScore 分2.8分(
中位一审周期55 



Digital Discovery 以数字化技术和自动化工具与基础科学的相互结合为重点,将囊括人工智能、实验自动化、机器人技术、数据库和先进 数据分析等领域的创新成果。本刊发表的研究工作范围广阔,但需有坚实的化学基础,具体包括:
  • 用于分子、材料和配方设计的人工智能与其它高通量计算方法;
  • 先进的数据工作流;
  • 创新的实验自动化;
  • “定向/加速进化”、“化学文库”、“加密化学”、“区块链加持的科学研究”等化学与其它学科的交叉领域。

作为一本金色开放获取的期刊,读者可免费获取论文的全文。

Editor-in-Chief

  • Alán Aspuru-Guzik
    🇨🇦 多伦多大学

Associate editors

  • Milad Albohasani
    🇺🇸 北卡州立大学

  • Kedar Hippalgaonkar
    🇸🇬 南洋理工大学

  • Xin Hong (洪鑫)

    🇨🇳 浙江大学

  • Linda Hung
    🇺🇸 丰田研究所

  • Joshua Schrier
    🇺🇸 福特汉姆大学

  • Cesar de la Fuente
    🇺🇸 宾夕法尼亚大学

  • Matthias Degroote
    🇧🇪 勃林格殷格翰

Editorial board members

  • Yousung Jung
    🇰🇷 首尔国立大学

  • Anat Milo
    🇮🇱 内盖夫本-古里安大学

  • Lilo D. Pozzo

    🇺🇸 华盛顿大学( 西雅图)

  • Ekaterina Skorb
    🇷🇺 圣彼得堡国立信息技术机械与光学大学

* 2023 Journal Citation Reports (Clarivate, 2024)
 CiteScore 2023 by Elsevier

 中位数,仅统计进入同行评审阶段的稿件







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