Ali Alavi

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 12

Top Topics

Density Functional Theory

Metal Organic Framework

Energy Transfer

Top Venues

The Journal of chemical physics

Journal of chemical theory and computation

Faraday discussions

This page only lists publications with an associated author ORCID identifier.

Publications

Daniel Kats, Evelin Martine Christlmaier, Thomas Schraivogel, Ali Alavi
Orbital optimisation in xTC transcorrelated methods. Faraday discussions (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation 20 (10) (2024)
Werner Dobrautz, Igor O Sokolov, Ke Liao, Pablo López Ríos, Martin Rahm, Ali Alavi, Ivano Tavernelli
Toward Real Chemical Accuracy on Current Quantum Hardware Through the Transcorrelated Method. Journal of chemical theory and computation (2024)
Oskar Weser, Ali Alavi, Giovanni Li Manni
Exploiting Locality in Full Configuration Interaction Quantum Monte Carlo for Fast Excitation Generation. Journal of chemical theory and computation (2023)
Evgeny Posenitskiy, Vijay Gopal Chilkuri, Abdallah Ammar, Michał Hapka, Katarzyna Pernal, Ravindra Shinde, Edgar Josué Landinez Borda, Claudia Filippi, Kousuke Nakano, Otto Kohulák, Sandro Sorella, Pablo de Oliveira Castro, William Jalby, Pablo López Ríos, Ali Alavi, Anthony Scemama
TREXIO: A file format and library for quantum chemistry. The Journal of chemical physics 158 (17) (2023)
Evelin Martine Christlmaier, Thomas Schraivogel, Pablo López Ríos, Ali Alavi, Daniel Kats
xTC: An efficient treatment of three-body interactions in transcorrelated methods. The Journal of chemical physics 159 (1) (2023)
Thomas Schraivogel, Evelin Martine Christlmaier, Pablo López Ríos, Ali Alavi, Daniel Kats
Transcorrelated coupled cluster methods. II. Molecular systems. The Journal of chemical physics 158 (21) (2023)
J Philip Haupt, Seyed Mohammadreza Hosseini, Pablo López Ríos, Werner Dobrautz, Aron J Cohen, Ali Alavi
Optimizing Jastrow factors for the transcorrelated method. The Journal of chemical physics 158 (22) (2023)
Werner Dobrautz, Simon D Smart, Ali Alavi
Efficient formulation of full configuration interaction quantum Monte Carlo in a spin eigenbasis via the graphical unitary group approach. The Journal of chemical physics 151 (9) (2019)
Khaldoon Ghanem, Alexander Y Lozovoi, Ali Alavi
Unbiasing the initiator approximation in full configuration interaction quantum Monte Carlo. The Journal of chemical physics 151 (22) (2019)