Silvan Käser

Publication Activity (10 Years)

Years Active: 2020-2024
Publications (10 Years): 16

Top Topics

Molecular Dynamics Simulations

Electron Transfer

Machine Learning

Staphylococcus Aureus

Top Venues

Physical chemistry chemical physics : PCCP

The journal of physical chemistry letters

Digital discovery

The Journal of chemical physics

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

Publications

Silvan Käser, Markus Meuwly
Numerical Accuracy Matters: Applications of Machine Learned Potential Energy Surfaces. The journal of physical chemistry letters (2024)
Wonmuk Hwang, Steven L Austin, Arnaud Blondel, Eric D Boittier, Stefan Boresch, Matthias Buck, Joshua Buckner, Amedeo Caflisch, Hao-Ting Chang, Xi Cheng, Yeol Kyo Choi, Jhih-Wei Chu, Michael F Crowley, Qiang Cui, Ana Damjanovic, Yuqing Deng, Michael Devereux, Xinqiang Ding, Michael F Feig, Jiali Gao, David R Glowacki, James E Gonzales, Mehdi Bagerhi Hamaneh, Edward D Harder, Ryan L Hayes, Jing Huang, Yandong Huang, Phillip S Hudson, Wonpil Im, Shahidul M Islam, Wei Jiang, Michael R Jones, Silvan Käser, Fiona L Kearns, Nathan R Kern, Jeffery B Klauda, Themis Lazaridis, Jinhyuk Lee, Justin A Lemkul, Xiaorong Liu, Yun Lyna Luo, Alexander D MacKerell, Dan Thomas Major, Markus Meuwly, Kwangho Nam, Lennart Nilsson, Victor Ovchinnikov, Emanuele Paci, Soohyung Park, Richard W Pastor, Amanda R Pittman, Carol Beth Post, Samarjeet Prasad, Jingzhi Pu, John Z H Zhang, Thenmalarchelvi Rathinavelan, Daniel R Roe, Benoı T Roux, Christopher N Rowley, Jana Shen, Andrew C Simmonett, Alexander J Sodt, Kai Töpfer, Meenu Upadhyay, Arjan van der Vaart, Luis Itza Vazquez-Salazar, Richard M Venable, Luke C Warrensford, H Lee Woodcock, Yujin Wu, Charles L Brooks Iii, Bernard R Brooks, Martin Karplus
CHARMM at 45: Enhancements in Accessibility, Functionality, and Speed. The journal of physical chemistry. B (2024)
Silvan Käser, Markus Meuwly
Numerical Accuracy Matters: Applications of Machine Learned Potential Energy Surfaces. The journal of physical chemistry letters 15 (12) (2024)
Ardita Kilaj, Silvan Käser, Jia Wang, Patrik Straňák, Max Schwilk, Lei Xu, O Anatole von Lilienfeld, Jochen Küpper, Markus Meuwly, Stefan Willitsch
Conformational and state-specific effects in reactions of 2,3-dibromobutadiene with Coulomb-crystallized calcium ions. Physical chemistry chemical physics : PCCP (2023)
Taija L Fischer, Margarethe Bödecker, Sophie M Schweer, Jennifer Dupont, Valéria Lepère, Anne Zehnacker-Rentien, Martin A Suhm, Benjamin Schröder, Tobias Henkes, Diego M Andrada, Roman M Balabin, Haobam Kisan Singh, Himangshu Pratim Bhattacharyya, Manabendra Sarma, Silvan Käser, Kai Töpfer, Luis Itza Vazquez-Salazar, Eric D Boittier, Markus Meuwly, Giacomo Mandelli, Cecilia Lanzi, Riccardo Conte, Michele Ceotto, Fabian Dietrich, Vicente Cisternas, Ramachandran Gnanasekaran, Michael F A Hippler, Mahmoud Jarraya, Majdi Hochlaf, Narasimhan Viswanathan, Thomas Nevolianis, Gabriel Rath, Wassja A Kopp, Kai Leonhard, Ricardo A Mata
The first HyDRA challenge for computational vibrational spectroscopy. Physical chemistry chemical physics : PCCP 25 (33) (2023)
Silvan Käser, Markus Meuwly
Transfer-learned potential energy surfaces: Toward microsecond-scale molecular dynamics simulations in the gas phase at CCSD(T) quality. The Journal of chemical physics 158 (21) (2023)
Kaisheng Song, Silvan Käser, Kai Töpfer, Luis Itza Vazquez-Salazar, Markus Meuwly
PhysNet meets CHARMM: A framework for routine machine learning/molecular mechanics simulations. The Journal of chemical physics 159 (2) (2023)
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, Kai Töpfer
Neural network potentials for chemistry: concepts, applications and prospects. Digital discovery 2 (1) (2022)
Silvan Käser, Jeremy O Richardson, Markus Meuwly
Transfer Learning for Affordable and High-Quality Tunneling Splittings from Instanton Calculations. Journal of chemical theory and computation 18 (11) (2022)
Silvan Käser, Luis Itza Vazquez-Salazar, Markus Meuwly, Kai Töpfer
Neural network potentials for chemistry: concepts, applications and prospects. Digital discovery 2 (1) (2022)
Seyedeh Maryam Salehi, Silvan Käser, Kai Töpfer, Polydefkis Diamantis, Rolf Pfister, Peter Hamm, Ursula Röthlisberger, Markus Meuwly
Hydration dynamics and IR spectroscopy of 4-fluorophenol. Physical chemistry chemical physics : PCCP 24 (42) (2022)
Kai Töpfer, Silvan Käser, Markus Meuwly
Double proton transfer in hydrated formic acid dimer: Interplay of spatial symmetry and solvent-generated force on reactivity. Physical chemistry chemical physics : PCCP 24 (22) (2022)
Silvan Käser, Eric D Boittier, Meenu Upadhyay, Markus Meuwly
Transfer Learning to CCSD(T): Accurate Anharmonic Frequencies from Machine Learning Models. Journal of chemical theory and computation 17 (6) (2021)
Silvan Käser, Markus Meuwly
Transfer learned potential energy surfaces: accurate anharmonic vibrational dynamics and dissociation energies for the formic acid monomer and dimer. Physical chemistry chemical physics : PCCP (2021)
Silvan Käser, Debasish Koner, Anders S Christensen, O Anatole von Lilienfeld, Markus Meuwly
Machine Learning Models of Vibrating H2CO: Comparing Reproducing Kernels, FCHL, and PhysNet. The journal of physical chemistry. A 124 (42) (2020)
Julian Arnold, Debasish Koner, Silvan Käser, Narendra Singh, Raymond J Bemish, Markus Meuwly
Machine Learning for Observables: Reactant to Product State Distributions for Atom-Diatom Collisions. The journal of physical chemistry. A 124 (35) (2020)