Workshop on Understanding Quantum Phenomena with Path Integrals: From Chemical Systems to Quantum fluids and Solids

Administration

Description

REGISTRATION PROCEDURES:

Visitors accommodated in the ICTP Guest Houses:
Registration will be done upon check-in at the Guest House reception desk
ONLY Visitors receiving financial support from the ICTP, should go directly to the Operations & Travel Unit office at the Enrico Fermi Building, first floor from 8.30 - 10.00 am, on Monday morning to collect your expenses (after you have registered)

Visitors NOT accommodated in the ICTP Guest Houses:
Please register with the Secretariat in office no. 1 at the Adriatico Guest House, lower level 1

Associateship/Federation scheme Visitors should register at the Leonardo Building, first floor, rooms 112 / 114 / 118

Upon your arrival, please make sure to pick up your Conference Folder in your mailbox at the Adriatico Guest House, lower level 1

The Programme will start at 10.00 with Welcome addresses
and will finish on Friday, 7 July at approximately 12.30
============================================================

The aim of this interdisciplinary Workshop is to gather together physicists and chemists who employ path-integral simulations on different systems, ranging from chemical and biochemical compounds, to quantum fluids/solids, to ultracold gases. The goal is to create the platform for exchanging knowledge on path-integral technology and on other approaches to the combined quantum simulation of electrons and nuclei.

This Workshop will present the most recent methodological developments and applications to the intriguing quantum phenomena, including, e.g., isotope effects in aqueous systems, quantum fluctuations in enzyme catalysis, superfluid/supersolid transitions, and correlation effects in electronic systems.

The programme will include 25 to 30 oral presentations given by invited speakers, a poster session and a flash talk session with short oral contributions.

CALL FOR CONTRIBUTED ABSTRACTS:

In the application form, all applicants are invited to submit an Abstract (preferably using the template indicated below) for a poster presentation and for a flash talk (approximately 3 or 4 minutes long) to advertise the content of the poster.

GRANTS

A limited number of grants are available to support the travel and living expenses of selected participants, with strong priority given to participants working in a developing country and who are at the early stages of their career.

We also acknowledge financial support from the Psi-k Network.

There is no registration fee.

Speakers:

Nandini ANANTH (Cornell University)
Gianluca BERTAINA (University of Milan)
Massimo BONINSEGNI (University of Alberta)
Jordi BORONAT (UPC, Barcelona)
Fabio CINTI (NITheP, Stellenbosch)
Bryan CLARK (UIUC)
Davide GALLI (University of Milan)
Markus HOLZMANN (LPMMC, Grenoble)
Yongkyung KWON (Konkuk U., Seoul)
Nancy MAKRI (UIUC)
Ondrej MARSALEK (Stanford University)
Glenn MARTYNA (IBM T.J. Watson RC)
Dominik MARX (Ruhr-Universitaet Bochum)
Guglielmo MAZZOLA (ETH Zurich)
Burkhard MILITZER (UC Berkeley)
Marco NAVA (ETH Zurich)
Carlo PIERLEONI (University o L'Aquila)
Igor POLTAVSKYI (Universite' du Luxembourg)
Nikolay PROKOF'EV (UMass, Amerst)
George REITER (University of Houston)
Jeremy RICHARDSON (ETH Zurich)
Mariana ROSSI CARVALHO (FHI Berlin)
Sandro SORELLA (SISSA)
Mark TUCKERMAN (New York University)

Material

Abstract Template.pdf Abstract Template.tex Flash Talk Session Programme.Pdf General information List of Posters (alphabetical order).pdf Poster Preliminary List of Participants.pdf Programme Scheme.pdf Programme.pdf group photo

Workshop on Understanding Quantum Phenomena with Path Integrals: From Chemical Systems to Quantum fluids and Solids | (smr 3131)

Go to day

Monday, 3 July 2017

08:30 - 23:00 Morning Chairman: Michele CERIOTTI / Afternoon Chairman: Davide GALLI

Location:

Adriatico Guest House - Kastler Lecture Hall

08:30 REGISTRATION & ADMINISTRATIVE FORMALITIES 1h30'

Visitors accommodated in the ICTP Guest Houses:  
Registration will be done upon check-in at the Guest House reception desk
ONLY Visitors receiving financial support from the ICTP, should go directly to the Operations & Travel Unit office at the Enrico Fermi Building, first floor from 8.30 - 10.00 am, on Monday morning to collect your expenses (after you have registered)

Visitors NOT accommodated in the ICTP Guest Houses: 
Please register with the Secretariat in office no. 1 at the Adriatico Guest House, lower level 1

Associateship/Federation scheme Visitors should register at the Leonardo Building, first floor, rooms 112 / 114 / 118

Upon your arrival, please make sure to pick up your Conference Folder in your 
mailbox at the Adriatico Guest House, lower level 1

10:00 WELCOME ADDRESSES 30'

10:30 Role of the Interaction Core in the Excitation Spectrum of 1D Gases and Liquids 50'

Speaker:	Davide E. GALLI (Universita' degli Studi di Milano, Italy)
Material:	Abstract Slides

11:20 Nuclear Quantum Effects by Accelerated Molecular Dynamics and Quantum Monte Carlo 50'

Speaker:	Sandro SORELLA (SISSA, Trieste, Italy)
Material:	Abstract Slides

12:10 Spatio-Temporal Correlations across the Melting of Wigner Molecules 20'

Speaker:	Amit GHOSAL (IISER, Kolkata, India)
Material:	Abstract Slides

12:30 Lunch break 2h30' ( Adriatico Guest House Cafeteria )

15:00 Coupled Electron-Ion Monte Carlo Study of Hydrogen under Extreme Conditions 50'

Speaker:	Carlo PIERLEONI (Università degli Studi dell'Aquila, Italy)
Material:	Abstract Slides

15:50 Quantum Solvation: Hydrogen-Bonding and Chemical Reactions in Superfluids 50'

Speaker:	Dominik MARX (Ruhr-Universitaet Bochum, Germany)
Material:	Abstract

16:40 Coffee break 30' ( Terrace - Adriatico Guest House )

17:10 Quantum Symmetry from Enhanced Sampling: A First Exploration 50'

Speaker:	Marco NAVA (ETH, Lugano, Switzerland)
Material:	Abstract Slides

18:30 Welcome Get-Together Drink 2h0' ( )
```
VENUE:
outside the Kastler Lecture Room
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Tuesday, 4 July 2017

09:00 - 18:00 Morning Chairmen: Tom MARKLAND & Jeremy RICHARDSON / Afternoon Chairman: Tommaso COMPARIN

09:00 Path Integral Monte Carlo Simulations of Warm Dense Matter 50'

Speaker:	Burkhard MILITZER (University of California, Berkeley, U.S.A.)
Material:	Abstract Slides

09:50 Quantum Dynamics and Spectroscopy of Ab Initio Aqueous Solutions: the Interplay of Nuclear and Electronic Quantum Effects 50'

Speaker:	Ondrej MARSALEK (Stanford University, U.S.A.)
Material:	Abstract

10:40 Coffee break 30' ( Terrace - Adriatico Guest House )

11:10 One-Dimensional Soft Bosons across the Liquid - Cluster Liquid Transition 50'

Speaker:	Gianluca BERTAINA (University of Milan)
Material:	Abstract Slides

12:00 Constructing High-Dimensional Neural Network Potentials (NNPs) to describe the Solvation of Protonated Water Clusters by Superfluid Helium 20'

Speaker:	Christoph SCHRAN (Ruhr-Universitaet Bochum, Germany)
Material:	Abstract Slides

12:20 Lunch break 1h55' ( Adriatico Guest House Cafeteria )

14:15 Path Integral Monte Carlo Calculations of Atomic Bose Gases 50'

Speaker:	Markus HOLZMANN (Grenoble & LPMMC, Paris, France)
Material:	Abstract Slides

15:05 A Diagrammatic Approach to Composite, Rotating Impurities 20'

Speaker:	Giacomo BIGHIN (IST, Klosterneuburg, Austria)
Material:	Abstract Slides

15:25 Coffee break 30' ( Terrace - Adriatico Guest House )

15:55 Proton Coherent Delocalization in the Ground State of Nanoconfined Water 50'

Speaker:	George REITER (University of Houston, U.S.A.)
Material:	Abstract Slides

Wednesday, 5 July 2017

09:00 - 21:00 Morning Chairmen: Ondrej MARSALEK & Marco NAVA / Afternoon Chairmen: Nancy MAKRI & Sebastiano PILATI

09:00 Hydrogen Diffusion and Lithium Isotope Fractionation: Cases of Competing and (sometimes) Surprising Quantum Effects 50'

Speaker:	Mark TUCKERMAN (New York University, U.S.A.)
Material:	Abstract

09:50 Path Integral Methods for Nonadiabatic Dynamics: Quantum Transitions from Classical Trajectories 50'

Speaker:	Nandini ANANTH (Cornell University, Ithaca, U.S.A.)
Material:	Abstract Slides

10:40 Coffee break 30' ( Terrace - Adriatico Guest House )

11:10 Rigorous Quantum-Classical Path Integral Formulation of Real-Time Dynamics 50'

Speaker:	Nancy MAKRI (University of Illinois, Urbana, U.S.A.)
Material:	Abstract Slides

12:00 High Order Path Integrals Made Easy 20'

Speaker:	Venkat KAPIL (EPFL, Lausanne, Switzerland)
Material:	Abstract Slides

12:20 Lunch break 1h55' ( Adriatico Guest House Cafeteria )

14:15 An Electronically Coarse Grained Model describes Water's Properties from Ice to the Supercritical Regime 50'

Speaker:	Glenn J. MARTYNA (IBM - Thomas J. Watson Research Center, Yorktown Heights, U.S.A.)
Material:	Abstract

15:05 Quantum Transport of Ions through Atomically Thin Materials 50'

Speaker:	Igor POLTAVSKYI (University of Luxembourg)
Material:	Abstract

15:55 Coffee break 30' ( Terrace - Adriatico Guest House )

16:25 Hanbury Brown-- Twis Effect in Finite-Sized Bose Gases 20'

Speaker:	Daniel SCHUMAYER (University of Otago, Dunedin, New Zeland)
Material:	Abstract

16:45 Flash Talks Session 1h15'

16:45 - Superfluidity in a System of Polarized Dipolar Bosons 4'

Speaker:	Raul BOMBIN ESCUDERO (Universitat Politecnica de Catalunya)
Material:	Abstract

16:49 - Analysis and Benchmark of Non-Adiabatic Dynamics with NRPMD 4'

Speaker:	Danilo CALDERINI (ETH Zurich)
Material:	Abstract

16:53 - Thermal Field Theory of Bosonic Gases with Finite-Range Effective Interaction 4'

Speaker:	Alberto CAPPELLARO (University of Padova)
Material:	Abstract

16:57 - A Semiclassical Divide-and-Conquer Method for Spectroscopic Calculations of High Dimensional Molecular Systems 4'

Speaker:	Giovanni Di LIBERTO (University of Milano)
Material:	Abstract

17:01 - Quantum and Thermal Effects in the Melting of Simple Solids 4'

Speaker:	Marisa DUSSEAULT (Memorial University of St. John's)
Material:	Abstract

17:05 - Hydrogen Atom Abstraction from Ethanol by Atomic Hydrogen in Aqueous Solution 4'

Speaker:	Suraj KANNATH (Lodz Unviersity of Technology)
Material:	Abstract

17:09 - Inclusion of Quantum Nuclear Effects in Alkanes using PIMD Techniques 4'

Speaker:	Nikolay KONDRATYUK (National Research University, Higher School of Economics)
Material:	Abstract

17:13 - Nuclear Quantum Effects on Surface-Assisted Water Dissociation 4'

Speaker:	Yair LITMAN (Fritz Haber Institute, MPI)
Material:	Abstract

17:17 - Spin Dynamics in One-Dimensional Bosonic Quantum Gases 4'

Speaker:	Luca PARISI (University of Trento)
Material:	Abstract

17:21 - Nuclear Quantum Effects on Acid Dissociation in Microsolvation Environments 4'

Speaker:	Ricardo PEREZ de TUDELA (Ruhr-Universitaet Bochum)
Material:	Abstract

17:25 - Nuclear Quantum Effects in an HIV/Cancer Inhibitor: The Case of Ellipticine 4'

Speaker:	Subrahmanyam SAPPATI (Indian Institute of Science Education & Reserach)
Material:	Abstract

17:29 - From Quantum Fluids to Emergent Gravity: Quantum Potential Induced Non-Local BEC & Analogue Hawking Radiation 4'

Speaker:	Supratik SARKAR (Indian Institute of Science Education & Research)
Material:	Abstract

17:33 - Negativity of Wigner Function as Measure of Quantum Correlations 4'

Speaker:	Fatima-Zahra SIYOURI (University of Rabat)
Material:	Abstract

17:37 - Signatures of Inequivalent Representations in Path Integrals 4'

Speaker:	Luca SMALDONE (University of Salerno)
Material:	Abstract

17:41 - Efficient Simulation of Non-Markovian Open Systems using Real Time Path Integrals 4'

Speaker:	Aidan STRATHEARN (University of St. Andrews)
Material:	Abstract

17:45 - Path Integral Methods to Compute Electron Transfer Reaction Rates 4'

Speaker:	Manish THAPA (ETH Zurich)
Material:	Abstract

17:49 - Relaxatiion Dynamics in Isolated and Open Many-Body Quantum Systems 4'

Speaker:	Llinersy URANGA PINA (Universidad de la Habana)
Material:	Abstract

17:53 - Microcanonical Instanton Rate Theory Applied to Molecular Reactions 4'

Speaker:	Pierre WINTER (ETH Zurich)
Material:	Abstract

17:57 - Nuclear Quantum Effects and Isotope Effects for Vaporation of Dibromomethane 4'

Speaker:	Luis VASQUEZ (Lodz University of Technology)
Material:	Abstract

18:01 - Thermodynamics of the Unitary Bose Gas from First Principles 4'

Speaker:	Tommaso COMPARIN (ENS, INO-CNR BEC Center & Univ. di Trento)
Material:	Abstract

18:05 - Adsorption of Molecular Hydrogen on Nanostructured Surfaces 4'

Speaker:	Aliezer MARTINEZ MESA (University of Havana)
Material:	Abstract

18:15 Poster Session with Refreshments (outside the Kastler Lecture Hall, lower level) 2h0'

Thursday, 6 July 2017

09:00 - 23:00 Morning Chairmen: Markus HOLZMANN & Daniel SCHUMAYER / Afternoon Chairman: Guglielmo MAZZOLA

Location:

Adriatico Guest House - Kastler Lecture Hall

09:00 Bound State of a 3He Atom at 4He Crystal-Superfluid Interfaces 50'

Speaker:	Massimo BONINSEGNI (University of Alberta, Edmonton, Canada)
Material:	Abstract

09:50 Many-body Physics of Superfluid Dipolar Filaments 50'

Speaker:	Fabio CINTI (STIAS, Stellenbosch, South Africa)
Material:	Abstract

10:40 Group Photo & Coffee break 30' ( Terrace - Adriatico Guest House )

11:10 Better Variational Density Matrices 50'

Speaker:	Bryan CLARK (University of Illinois, Urbana, U.S.A.)
Material:	Abstract

12:00 Quantum Effects in the Bulk Modulus of Solid Molecular Hydrogen 20'

Speaker:	Braulio Gabriel BRITO (UFTM, Uberaba, Brazil)
Material:	Abstract

12:20 Lunch break 1h55' ( Adriatico Guest House Cafeteria )

14:15 Quantum Critical Dynamics in the Relativistic (2+1)-Dimensional Field Theory 50'

Speaker:	Nikolai PROKOF'EV (University of Massachusetts, Amherst, U.S.A.)
Material:	Abstract

15:05 Path-Integral Monte Carlo Study of 4He Adsorption on Carbon Allotropes 50'

Speaker:	Yongkyung KWON (Konkuk University, Seoul, Korea)
Material:	Abstract Slides

15:55 Coffee break 30' ( Terrace - Adriatico Guest House )

16:25 Path Integral Estimation of Complex-time Correlation Functions 50'

Speaker:	Jordi BORONAT (UPC, Barcelona, Spain)
Material:	Abstract Slides

19:00 Welcome Buffet Reception/Dinner (outside on the terrace, weather permitting) 2h0' ( )

Friday, 7 July 2017

09:00 - 14:00 Morning Chairmen: George REITER & David CEPERLEY

09:00 Anharmonic and Quantum Effects in H-bonded Systems with First-principles Accuracy 50'

Speaker:	Mariana ROSSI (Fritz Haber Institute, Berlin, Germany)
Material:	Abstract

09:50 Quantum Dynamics, Tunnelling and Electron Transfer beyond Marcus Theory 50'

Speaker:	Jeremy RICHARDSON (ETH, Zurich, Switzerland)
Material:	Abstract

10:40 Coffee break 20' ( Terrace - Adriatico Guest House )

11:00 Quantum Monte Carlo Tunneling from Quantum Chemistry to Quantum Annealing 50'

Speaker:	Guglielmo MAZZOLA (ETH, Zurich, Switzerland)
Material:	Abstract Slides

11:50 Understanding Quantum Annealing using Projective Monte Carlo Algorithms 20'

Speaker:	Estelle Maeva INACK (SISSA, Trieste, Italy)
Material:	Abstract Slides

12:10 Closing Remarks 10'