Path Integral Quantum Mechanics: From the Basics to the Latest Developments
CECAM-HQ EPFL, Lausanne, Switzerland
The topic of this school is the path integral approach to quantum mechanics, which is one of the most computationally efficient methodologies for modeling quantum nuclear effects such as tunneling, delocalization, and zero-point fluctuations. These methods are most useful when describing structural as well as dynamical properties of systems that contain light nuclei such as hydrogen, carbon, oxygen etc. Path integral simulations are best known for studying quantum nuclear effects in large (high dimensional) condensed phase systems, as they provide a favorable compromise between accuracy and computational cost. Thanks to the ever increasing computational resources, and several new theoretical and computational developments, path integral simulations are being used to answer new questions, and are entering the mainstream of atomistic simulations . The field of path integral simulations is continuously growing with even more young researchers making prominent contributions. Since our last school in 2018, there have been many new developments in the areas of accelerated path integral methods, implementation of approximate methods for studying quantum nuclear effects in solids , path integral molecular dynamics for indistinguishable particles , accurate as well as accelerated methods for calculating vibrational spectra [4,5], implementation of ab initio ring polymer instanton methods , combination of path integral methods with machine learning approaches , non-adiabatic path integral rate theories [8,9], and many more. These methods are also being made available in an open-source software i-PI, which can connect with a variety of forcefield and electronic structure packages. Beyond the development of new methods, there have also been several notable applications of path integral methods in the areas of materials science, chemistry and physics, which underscore the importance of path integral methods for atomistic simulations.
Application instructions and requirements
The school is only able to accept a limited number of attendees. Hence, to allow the organizers to select attendees when filling out the applications form (see "Participate" tab), please make sure include in it (in the following order):
1. Your current institution
2. Your current level of training (undergraduate, graduate, postdoc, research scientist, faculty etc.) and current supervisor's name
3. Please provide a short statement (~3-5 lines) explaining why you believe that attending the CECAM path integral school will further your research and/or professional development.
Please also have your supervisor email us a letter of support
(to email@example.com and firstname.lastname@example.org)
We intend to hold the meeting in a hybrid format, allowing for as many participants to attend in person as the conditions allow at the time.
If conditions at the time are such that only a fully virtual event will be possible, we will be prepared for that too.
In the case that a hybrid event can happen and travel from your university to CECAM is possible,
4. Would you like to attend the meeting in person? Or would you prefer a remote attendance regardless of how the situation evolves?
Yair Litman ( Max Planck Institute for the Structure and Dynamics of Matter ) - Organiser
Mariana Rossi ( Max Planck Institute for the Structure and Dynamics of Matter ) - Organiser
Michele Ceriotti ( Swiss Federal Institutes of Technology Lausanne (EPFL) ) - Organiser
Venkat Kapil ( University of Cambridge ) - Organiser
Thomas Markland ( Stanford University ) - Organiser