We are glad to have Yiqun Cui, Samuel Xu, and Kangqi Yang here to join our team for the summer research. Welcome!
News
Congrats to Brian Liu on getting the Honors Degree in Chemistry!
Congrats to Brian Liu on winning the Honors Degree in Chemistry! His undergraduate thesis is “Advancing Quantum Dynamics Simulations: A Comparative Study of Dynamical Methods for the Spin-Boson Model”.
Welcome Xu and Can to our group as part of NET Master’s program
We are excited to welcome Xu Gong and Can Deng to our group as part of the NET Master’s program. The NET program is a graduate program jointly offered by NYU and ECNU, and our group is affiliated with the Precision Spectroscopy Lab of ECNU.
Our paper on time-convolution and time-convolutionless QMEs was accepted by JCP!
Congrats, our paper on semiclassical time-convolution and time-convolutionless quantum master equations was accepted by The Journal of Chemical Physics!
Xiang Sun, Zengkui Liu, Semiclassical Approaches to Perturbative Time-Convolution and Time-Convolutionless Quantum Master Equations for Electronic Transitions in Multistate Systems, J. Chem. Phys. (accepted).
Zengkui and Zailing’s paper on All-atom IMT was accepted by JCTC!
Congratulations to Zengkui and Zailing on the acceptance of the all-atom IMT for multi-state systems by J. Chem. Theory Comput.!
Zengkui Liu, Zailing Song, Xiang Sun, All-Atom Photoinduced Charge Transfer Dynamics in Condensed Phase via Nonlinear-Response Instantaneous Marcus Theory, J. Chem. Theory Comput. (accepted), DOI: 10.1021/acs.jctc.4c00010
2024 International Symposium on Computational Molecular Science and Machine Learning (6/29-7/1)
Welcome to attend the 2024 International Symposium on Computational Molecular Science and Machine Learning, June 29-July 1, 2024, NYU Shanghai.
Symposium link: https://computational-chemistry-conference.shanghai.nyu.edu/
About the Symposium
This symposium focuses on the recent development in computational molecular science as well as applications of machine learning methods in related fields. The topics covered include electronic structure theory, chemical dynamics, biological systems and materials as well as related developments of machine learning methods in these areas. The symposium aims to provide an advanced platform for exchange and collaboration among international and domestic scholars. The gathering of an outstanding group of scholars with expertise in related fields will help cultivate novel research ideas and develop new methodologies for the most challenging problems in these topics. The symposium will also provide excellent learning experiences for attending young scholars and students who are working in related areas. The symposium is sponsored by the NYU-ECNU Center for Computational Chemistry at NYU Shanghai and Shanghai Frontiers Science Center of Artificial Intelligence and Deep Learning at NYU Shanghai.
Date: June 29-July 1, 2024
Venue: NYU Shanghai | 567 West Yangsi Road, Pudong New District, Shanghai, China
Contact Email: shanghai.compuchem@nyu.edu
Contact Phone: (021) 20595665
Congrats to Haorui Hu on accepting NYU!
Congratulations to group alumni Haorui Hu on accepting New York University! We wish him to have a successful graduate study at NYU!
Congrats to Gustave Li on accepting Caltech!
Congratulations to our group alumni Gustave Li at NYU Shanghai, who recently accepted an offer from Caltech! We wish him to have a successful graduate study at Caltech!
Postdoc openings are available in our group!
Postdoc openings in Theoretical and Computational Chemistry
Description
NYU Shanghai welcomes applications for postdoctoral fellowships in the research group of Prof. Xiang Sun. The selected individuals will play a leading role in developing and applying new computational methods for chemical dynamics in condensed phase and simulation of ultrafast nonlinear spectroscopies. Specifically, photo-induced charge and energy transfer dynamics as well as structural dynamics of light-harvesting systems such as organic photovoltaic and luminescent molecules in liquid solutions and interfaces will be investigated. Classical molecular dynamics, mixed quantum-classical, semiclassical, and path integral approaches will be developed for such systems. Novel dynamical methods will be applied to nonlinear spectroscopies to help reveal important molecular information behind them. More details can be found at https://wp.nyu.edu/xiangsun.
Research at NYU Shanghai is supported by the NYU-ECNU Center for Computational Chemistry, a research institute operated jointly by NYU, NYU Shanghai, and East China Normal University (ECNU). The center has a core group of faculty members who are conducting frontier research in various fields of computational chemistry, biology, and material sciences. The postdoc fellow will be also affiliated with the center. More details can be found at https://research.shanghai.nyu.edu/chemistry.
Please visit our website at http://shanghai.nyu.edu/about/work/fellowships for the availability of this opening. If you have any questions, please email xiang.sun@nyu.edu.
Terms of employment at NYU Shanghai are comparable to NYU New York and other U.S. institutions.
Qualifications
- Ph.D. (or expected) in chemistry, physics, or related fields
- Experience with molecular dynamics simulations and quantum chemistry calculations
- Experience with developing dynamics codes in C/C++, Fortran, or Python
- Excellent communication skills (writing and speaking in English)
Application Instructions
The two postdoc fellowship positions are available immediately and will remain open until filled. The term is for one year initially with the possibility of extension to multiple years. Benefits and salary are competitive. To be considered, applicants should prepare the following items and apply by emailing the following materials to Prof. Xiang Sun at xiang.sun@nyu.edu:
- a cover letter with a brief description of research accomplishments and interests;
- a curriculum vitae with a list of publications;
- contact information for 3 recommendation-letter writers.
If you have any questions regarding your Interfolio application, please email the NYU Shanghai NY Office of Faculty Recruitment shanghai.faculty.recruitment@nyu.edu.
About NYU Shanghai:
NYU Shanghai is the third degree-granting campus within New York University’s global network. It is the first higher education joint venture in China authorized to grant degrees that are accredited in the U.S. as well as in China. All teaching is conducted in English. A research university with liberal arts and science at its core, NYU Shanghai resides in one of the world’s great cities with a vibrant intellectual community. NYU Shanghai recruits scholars of the highest caliber who are committed to NYU’s global vision of transformative teaching and innovative research and who embody the global society in which we live.
NYU’s global network includes degree-granting campuses in New York, Shanghai, and Abu Dhabi, complemented by fourteen additional academic centers across five continents. Faculty and students circulate within the network in pursuit of common research interests and cross-cultural, interdisciplinary endeavors, both local and global.
For people in the EU, click here for information on your privacy rights under GDPR: www.nyu.edu/it/gdpr.
NYU Shanghai is an equal opportunity employer committed to equity, diversity, and social inclusion. We strongly encourage applications from under-represented individuals in the profession, across color, creed, race, ethnic and national origin, physical ability, and gender and sexual identity. NYU Shanghai affirms the value of differing perspectives on the world as we strive to build the strongest possible university with the widest reach.
EOE/AA/Minorities/Females/Vet/Disabled/Sexual Orientation/Gender Identity Employer
Our paper on Generalized NE-FGR was accepted by J Chem Phys!
Congratulations! The Journal of Chemical Physics accepted our paper on Generalized Nonequilibrium Fermi’s Golden Rule for Multiple States!
- Xiang Sun, Xiaofang Zhang, Zengkui Liu, Generalized Nonequilibrium Fermi’s Golden Rule and Its Semiclassical Approximations for Electronic Transitions between Multiple States, J. Chem. Phys. (accepted)