Claudia Filippi (C Filippi)

Publication Activity (10 Years)

Years Active: 2017-2024
Publications (10 Years): 20

Top Topics

Molecular Dynamics Simulations

Human Serum Albumin

Electron Transfer

Top Venues

Journal of chemical theory and computation

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Bioconjugate chemistry

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

Publications

E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation (2024)
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH) 4 H] - Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods. The journal of physical chemistry. A (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH) 4 H] - Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods. The journal of physical chemistry. A 128 (7) (2024)
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH) 4 H] - Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods. The journal of physical chemistry. A 128 (7) (2024)
E Slootman, Igor Poltavsky, Ravindra Shinde, J Cocomello, S Moroni, Alexandre Tkatchenko, Claudia Filippi
Accurate Quantum Monte Carlo Forces for Machine-Learned Force Fields: Ethanol as a Benchmark. Journal of chemical theory and computation 20 (14) (2024)
Victor P Vysotskiy, Claudia Filippi, Ulf Ryde
Scalar Relativistic All-Electron and Pseudopotential Ab Initio Study of a Minimal Nitrogenase [Fe(SH) 4 H] - Model Employing Coupled-Cluster and Auxiliary-Field Quantum Monte Carlo Many-Body Methods. The journal of physical chemistry. A 128 (7) (2024)
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)
Alice Cuzzocrea, Saverio Moroni, Anthony Scemama, Claudia Filippi
Reference Excitation Energies of Increasingly Large Molecules: A QMC Study of Cyanine Dyes. Journal of chemical theory and computation 18 (2) (2022)
Stuart Shepard, Ramón L Panadés-Barrueta, Saverio Moroni, Anthony Scemama, Claudia Filippi
Double Excitation Energies from Quantum Monte Carlo Using State-Specific Energy Optimization. Journal of chemical theory and computation 18 (11) (2022)
Jesse van Rhijn, Claudia Filippi, Stefania De Palo, Saverio Moroni
Energy Derivatives in Real-Space Diffusion Monte Carlo. Journal of chemical theory and computation 18 (1) (2021)
Monika Dash, Saverio Moroni, Claudia Filippi, Anthony Scemama
Tailoring CIPSI Expansions for QMC Calculations of Electronic Excitations: The Case Study of Thiophene. Journal of chemical theory and computation 17 (6) (2021)
Alice Cuzzocrea, Anthony Scemama, Wim J Briels, Saverio Moroni, Claudia Filippi
Variational Principles in Quantum Monte Carlo: The Troubled Story of Variance Minimization. Journal of chemical theory and computation 16 (7) (2020)
Habiburrahman Zulfikri, Mark A J Koenis, Michael M Lerch, Mariangela Di Donato, Wiktor Szymanski, Claudia Filippi, Ben L Feringa, Wybren Jan Buma
Taming the Complexity of Donor-Acceptor Stenhouse Adducts: Infrared Motion Pictures of the Complete Switching Pathway. Journal of the American Chemical Society 141 (18) (2019)
Monika Dash, Jonas Feldt, Saverio Moroni, Anthony Scemama, Claudia Filippi
Excited States with Selected Configuration Interaction-Quantum Monte Carlo: Chemically Accurate Excitation Energies and Geometries. Journal of chemical theory and computation 15 (9) (2019)
Riccardo Nifosì, Benedetta Mennucci, Claudia Filippi
The key to the yellow-to-cyan tuning in the green fluorescent protein family is polarisation. Physical chemistry chemical physics : PCCP 21 (35) (2019)
Monika Dash, Saverio Moroni, Anthony Scemama, Claudia Filippi
Perturbatively Selected Configuration-Interaction Wave Functions for Efficient Geometry Optimization in Quantum Monte Carlo. Journal of chemical theory and computation 14 (8) (2018)
Rindia M Putri, Habiburrahman Zulfikri, Jean Wilfried Fredy, Alberto Juan, Pichayut Tananchayakul, Jeroen J L M Cornelissen, Melissa S T Koay, Claudia Filippi, Nathalie Katsonis
Photoprogramming Allostery in Human Serum Albumin. Bioconjugate chemistry 29 (7) (2018)
Roland Assaraf, S Moroni, Claudia Filippi
Optimizing the Energy with Quantum Monte Carlo: A Lower Numerical Scaling for Jastrow-Slater Expansions. Journal of chemical theory and computation 13 (11) (2017)