Luca A. Thiede

According to our database, Luca A. Thiede authored at least 9 papers between 2020 and 2024.

Collaborative distances:

• Dijkstra number of four.
• Erdős number of four.

2024

How to do impactful research in artificial intelligence for chemistry and materials science.

Austin H. Cheng, Cher Tian Ser, Marta Skreta, Andrés Guzmán-Cordero, Luca A. Thiede, Andreas Burger, Abdulrahman Aldossary, Shi Xuan Leong, Sergio Pablo-García, Felix Strieth-Kalthoff, Alán Aspuru-Guzik

CoRR, 2024

2023

Sorting Out Quantum Monte Carlo.

Jack Richter-Powell, Luca A. Thiede, Alán Aspuru-Guzik, David Duvenaud

CoRR, 2023

Towards equilibrium molecular conformation generation with GFlowNets.

Alexandra Volokhova, Michal Koziarski, Alex Hernández-García, Cheng-Hao Liu, Santiago Miret, Pablo Lemos, Luca A. Thiede, Zichao Yan, Alán Aspuru-Guzik, Yoshua Bengio

CoRR, 2023

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, John Willes, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

Wasserstein Quantum Monte Carlo: A Novel Approach for Solving the Quantum Many-Body Schrödinger Equation.

Kirill Neklyudov, Jannes Nys, Luca A. Thiede, Juan Carrasquilla, Qiang Liu, Max Welling, Alireza Makhzani

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

2022

Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning.

Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alán Aspuru-Guzik

Mach. Learn. Sci. Technol., 2022

Waveflow: Enforcing boundary conditions in smooth normalizing flows with application to fermionic wave functions.

Luca A. Thiede, Chong Sun, Alán Aspuru-Guzik

CoRR, 2022

Tartarus: A Benchmarking Platform for Realistic And Practical Inverse Molecular Design.

AkshatKumar Nigam, Robert Pollice, Gary Tom, Kjell Jorner, Luca A. Thiede, Anshul Kundaje, Alán Aspuru-Guzik

CoRR, 2022

2020

Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning.

Luca A. Thiede, Mario Krenn, AkshatKumar Nigam, Alán Aspuru-Guzik

CoRR, 2020